(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride

C9H10Cl2F3N — CID 171313800

IUPAC(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1cccc(Cl)c1F
InChIInChI=1S/C9H9ClF3N.ClH/c10-6-3-1-2-5(9(6)13)7(14)4-8(11)12;/h1-3,7-8H,4,14H2;1H/t7-;/m1./s1
InChIKeyIFTYGFATUDDHEP-OGFXRTJISA-N
MW260.09 g/mol
LogP3.56
Rot. Bonds3

About (1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride

(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171313800) has the molecular formula C9H10Cl2F3N and a molecular weight of 260.09 g/mol. Its IUPAC name is (1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171313800
Molecular FormulaC9H10Cl2F3N
Molecular Weight260.09 g/mol
Exact Mass259.01
IUPAC Name(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1cccc(Cl)c1F
InChIInChI=1S/C9H9ClF3N.ClH/c10-6-3-1-2-5(9(6)13)7(14)4-8(11)12;/h1-3,7-8H,4,14H2;1H/t7-;/m1./s1
InChIKeyIFTYGFATUDDHEP-OGFXRTJISA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 53.56
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
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313419
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
(1S)-1-(3-chloro-2-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171228917
(1S)-1-(3-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171228893
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
CID 171209299
(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171209326
(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride
CID 171313797
(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride
CID 171313164
(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
CID 171312830

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride (CID 171313800) is (1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)F)c1cccc(Cl)c1F.
What is the InChIKey of (1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is IFTYGFATUDDHEP-OGFXRTJISA-N. The full InChI is InChI=1S/C9H9ClF3N.ClH/c10-6-3-1-2-5(9(6)13)7(14)4-8(11)12;/h1-3,7-8H,4,14H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 260.09 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171313800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).