CAS
99435-46-8 Purity
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99435-46-8 Purity
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Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate
CAS
99437-70-4
Catalog Number
ACM99437704
Category
Other Products
Molecular Weight
186.129070 [g/mol]
Molecular Formula
C6H9O3F3
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Specification
Synonyms
(S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate, 99437-70-4, PubChem15564, AC1LXY8W, ZINC02168465, AKOS006290782, ethyl (3S)-4,4,4-trifluoro-3-hydroxybutanoate
IUPAC Name
ethyl (3S)-4,4,4-trifluoro-3-hydroxybutanoate
SMILES
CCOC(=O)CC(C(F)(F)F)O
InChI Key
ZWEDFBKLJILTMC-BYPYZUCNSA-N
Exact Mass
186.05000
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate?
The molecular formula is C6H9F3O3.
When was Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate created and modified in PubChem?
It was created on 2005-07-12 and last modified on 2023-12-30.
What is the IUPAC name of Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate?
The IUPAC name is ethyl (3S)-4,4,4-trifluoro-3-hydroxybutanoate.
What is the InChIKey of Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate?
The InChIKey is ZWEDFBKLJILTMC-BYPYZUCNSA-N.
How many hydrogen bond donor counts does Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate?
The topological polar surface area is 46.5 Ų.
How many rotatable bond counts does Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate have?
It has 4 rotatable bond counts.
Is Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the XLogP3-AA value of Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate?
The XLogP3-AA value is 0.9.
What is the molecular weight of Ethyl(S)-3-hydroxy-4,4,4-trifluorobutanoate?
The molecular weight is 186.13 g/mol.
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