(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride

C9H11ClF3N — CID 171312830

IUPAC(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1ccccc1F
InChIInChI=1S/C9H10F3N.ClH/c10-7-4-2-1-3-6(7)8(13)5-9(11)12;/h1-4,8-9H,5,13H2;1H/t8-;/m0./s1
InChIKeyJIXSQTGVVZVVLT-QRPNPIFTSA-N
MW225.64 g/mol
LogP2.90
Rot. Bonds3

About (1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride

(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride (PubChem CID 171312830) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
PubChem CID171312830
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC Name(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1ccccc1F
InChIInChI=1S/C9H10F3N.ClH/c10-7-4-2-1-3-6(7)8(13)5-9(11)12;/h1-4,8-9H,5,13H2;1H/t8-;/m0./s1
InChIKeyJIXSQTGVVZVVLT-QRPNPIFTSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008
(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171313633
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
(2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol
CID 144615590
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885
(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171312984
(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313800
(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
CID 171260293
(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride (CID 171312830) is (1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride is Cl.N[C@@H](CC(F)F)c1ccccc1F.
What is the InChIKey of (1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride?
The InChIKey is JIXSQTGVVZVVLT-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H10F3N.ClH/c10-7-4-2-1-3-6(7)8(13)5-9(11)12;/h1-4,8-9H,5,13H2;1H/t8-;/m0./s1.
What are the key properties of (1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride?
(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171312830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).