CAS
960049-21-2 Purity
98 atom % D
960049-21-2 Purity
98 atom % D
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2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine
CAS
960119-20-4
Catalog Number
ACM960119204
Category
Other Products
Molecular Weight
208.207306 [g/mol]
Molecular Formula
C11H10F2N2
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Specification
Synonyms
2,2-DIFLUORO-2- ETHANAMINE, AKOS015966217, 960119-20-4
IUPAC Name
2,2-difluoro-2-isoquinolin-5-ylethanamine
Canonical SMILES
C1=CC2=C(C=CN=C2)C(=C1)C(CN)(F)F
InChI Key
JNRPJAUFGFZMKF-UHFFFAOYSA-N
Boiling Point
370.6ºC at 760 mmHg
Flash Point
177.9ºC
Density
1.261g/cm³
Exact Mass
208.08100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine?
The molecular formula is C11H10F2N2.
What is the molecular weight of 2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine?
The molecular weight is 208.21 g/mol.
What is the IUPAC name of 2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine?
The IUPAC name is 2,2-difluoro-2-isoquinolin-5-ylethanamine.
What is the InChI of 2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine?
The InChI is InChI=1S/C11H10F2N2/c12-11(13,7-14)10-3-1-2-8-6-15-5-4-9(8)10/h1-6H,7,14H2.
What is the InChIKey of 2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine?
The InChIKey is JNRPJAUFGFZMKF-UHFFFAOYSA-N.
What is the canonical SMILES of 2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine?
The canonical SMILES is C1=CC2=C(C=CN=C2)C(=C1)C(CN)(F)F.
What is the XLogP3-AA value of 2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine?
The XLogP3-AA value is 1.6.
How many hydrogen bond donor counts are there in 2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in 2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine?
There are 4 hydrogen bond acceptor counts.
How many rotatable bond counts are there in 2,2-Difluoro-2-(isoquinolin-5-yl)ethanamine?
There are 2 rotatable bond counts.
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