(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride

C9H10ClF4N — CID 171313008

IUPAC(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1cccc(F)c1F
InChIInChI=1S/C9H9F4N.ClH/c10-6-3-1-2-5(9(6)13)7(14)4-8(11)12;/h1-3,7-8H,4,14H2;1H/t7-;/m0./s1
InChIKeyBBWJEPWYTFTJPW-FJXQXJEOSA-N
MW243.63 g/mol
LogP3.04
Rot. Bonds3

About (1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride

(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171313008) has the molecular formula C9H10ClF4N and a molecular weight of 243.63 g/mol. Its IUPAC name is (1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171313008
Molecular FormulaC9H10ClF4N
Molecular Weight243.63 g/mol
Exact Mass243.04
IUPAC Name(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1cccc(F)c1F
InChIInChI=1S/C9H9F4N.ClH/c10-6-3-1-2-5(9(6)13)7(14)4-8(11)12;/h1-3,7-8H,4,14H2;1H/t7-;/m0./s1
InChIKeyBBWJEPWYTFTJPW-FJXQXJEOSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
CID 171312830
(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313800
(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171313633
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
1-(2,3-difluorophenyl)-3,4,4-trimethylpentan-1-amine
CID 115861931
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171204140
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
CID 171204126
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171313036

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride (CID 171313008) is (1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride is Cl.N[C@@H](CC(F)F)c1cccc(F)c1F.
What is the InChIKey of (1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is BBWJEPWYTFTJPW-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H9F4N.ClH/c10-6-3-1-2-5(9(6)13)7(14)4-8(11)12;/h1-3,7-8H,4,14H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 243.63 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171313008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).