CAS
914637-41-5 Purity
96%
914637-41-5 Purity
96%
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Nonafluoro-tert-butyl 2-methylbutyrate
CAS
914637-47-1
Catalog Number
ACM914637471
Category
Other Products
Molecular Weight
320.1522
Molecular Formula
C9H9F9O2
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Specification
Synonyms
Nonafluoro-tert-butyl 2-methylbutyrate, CTK6C7466, MolPort-001-773-049, PC2894, AG-B-39969, 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl 2-methylbutanoate, 914637-47-1
IUPAC Name
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] 2-methylbutanoate
Canonical SMILES
CCC(C)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChI Key
RIDIMSPDBDWFDY-UHFFFAOYSA-N
Exact Mass
320.04600
H-Bond Acceptor
11
H-Bond Donor
0
What is the molecular formula of Nonafluoro-tert-butyl 2-methylbutyrate?
The molecular formula of Nonafluoro-tert-butyl 2-methylbutyrate is C9H9F9O2.
What is the molecular weight of Nonafluoro-tert-butyl 2-methylbutyrate?
The molecular weight of Nonafluoro-tert-butyl 2-methylbutyrate is 320.15 g/mol.
What is the IUPAC name of Nonafluoro-tert-butyl 2-methylbutyrate?
The IUPAC name of Nonafluoro-tert-butyl 2-methylbutyrate is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] 2-methylbutanoate.
What is the InChIKey of Nonafluoro-tert-butyl 2-methylbutyrate?
The InChIKey of Nonafluoro-tert-butyl 2-methylbutyrate is RIDIMSPDBDWFDY-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Nonafluoro-tert-butyl 2-methylbutyrate have?
Nonafluoro-tert-butyl 2-methylbutyrate has 11 hydrogen bond acceptors.
What is the XLogP3-AA value of Nonafluoro-tert-butyl 2-methylbutyrate?
The XLogP3-AA value of Nonafluoro-tert-butyl 2-methylbutyrate is 4.7.
What is the topological polar surface area of Nonafluoro-tert-butyl 2-methylbutyrate?
The topological polar surface area of Nonafluoro-tert-butyl 2-methylbutyrate is 26.3 2.
Is Nonafluoro-tert-butyl 2-methylbutyrate a canonicalized compound?
Yes, Nonafluoro-tert-butyl 2-methylbutyrate is a canonicalized compound.
How many rotatable bonds does Nonafluoro-tert-butyl 2-methylbutyrate have?
Nonafluoro-tert-butyl 2-methylbutyrate has 4 rotatable bonds.
What is the formal charge of Nonafluoro-tert-butyl 2-methylbutyrate?
The formal charge of Nonafluoro-tert-butyl 2-methylbutyrate is 0.
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