(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride

C9H11ClF3N — CID 171199037

IUPAC(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CCF)c1ccc(F)cc1F
InChIInChI=1S/C9H10F3N.ClH/c10-4-3-9(13)7-2-1-6(11)5-8(7)12;/h1-2,5,9H,3-4,13H2;1H/t9-;/m1./s1
InChIKeyHOZBMLAUOLIHQP-SBSPUUFOSA-N
MW225.64 g/mol
LogP2.75
Rot. Bonds3

About (1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride

(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride (PubChem CID 171199037) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is (1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
PubChem CID171199037
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC Name(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CCF)c1ccc(F)cc1F
InChIInChI=1S/C9H10F3N.ClH/c10-4-3-9(13)7-2-1-6(11)5-8(7)12;/h1-2,5,9H,3-4,13H2;1H/t9-;/m1./s1
InChIKeyHOZBMLAUOLIHQP-SBSPUUFOSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171199026
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
(1S)-3-fluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171221503
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
(1S)-3-fluoro-1-(2,3,4-trifluorophenyl)propan-1-amine;hydrochloride
CID 171225366
(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine;hydrochloride
CID 171218552
(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
CID 28931114
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(1S)-1-(2-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220750
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine
CID 77463781

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride (CID 171199037) is (1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride is Cl.N[C@H](CCF)c1ccc(F)cc1F.
What is the InChIKey of (1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride?
The InChIKey is HOZBMLAUOLIHQP-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H10F3N.ClH/c10-4-3-9(13)7-2-1-6(11)5-8(7)12;/h1-2,5,9H,3-4,13H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride?
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171199037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).