(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine

C8H8F3N — CID 130740137

IUPAC(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
SMILESN[C@@H](CF)c1cccc(F)c1F
InChIInChI=1S/C8H8F3N/c9-4-7(12)5-2-1-3-6(10)8(5)11/h1-3,7H,4,12H2/t7-/m0/s1
InChIKeyHDHHVHOYKUJSIK-ZETCQYMHSA-N
MW175.15 g/mol
LogP1.93
Rot. Bonds2

About (1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine

(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine (PubChem CID 130740137) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is (1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
PubChem CID130740137
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
SMILESN[C@@H](CF)c1cccc(F)c1F
InChIInChI=1S/C8H8F3N/c9-4-7(12)5-2-1-3-6(10)8(5)11/h1-3,7H,4,12H2/t7-/m0/s1
InChIKeyHDHHVHOYKUJSIK-ZETCQYMHSA-N
XLogP1.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
CID 171204126
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
(3S)-3-amino-3-(2,3-difluorophenyl)propanenitrile
CID 130649067
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
4-amino-4-(2,3-difluorophenyl)butan-1-ol
CID 170171841
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171204140
1-(2,3-difluorophenyl)-3,4,4-trimethylpentan-1-amine
CID 115861931

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine?
The IUPAC name of (1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine (CID 130740137) is (1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine.
What is the SMILES notation for (1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine?
The canonical SMILES for (1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine is N[C@@H](CF)c1cccc(F)c1F.
What is the InChIKey of (1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine?
The InChIKey is HDHHVHOYKUJSIK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8F3N/c9-4-7(12)5-2-1-3-6(10)8(5)11/h1-3,7H,4,12H2/t7-/m0/s1.
What are the key properties of (1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine?
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine has a molecular weight of 175.15 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 130740137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).