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

C8H10ClF3N2 — CID 171312984

IUPAC(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1cccnc1F
InChIInChI=1S/C8H9F3N2.ClH/c9-7(10)4-6(12)5-2-1-3-13-8(5)11;/h1-3,6-7H,4,12H2;1H/t6-;/m0./s1
InChIKeyHLNJAMCXUXZTIA-RGMNGODLSA-N
MW226.63 g/mol
LogP2.30
Rot. Bonds3

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

(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride (PubChem CID 171312984) has the molecular formula C8H10ClF3N2 and a molecular weight of 226.63 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
PubChem CID171312984
Molecular FormulaC8H10ClF3N2
Molecular Weight226.63 g/mol
Exact Mass226.05
IUPAC Name(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1cccnc1F
InChIInChI=1S/C8H9F3N2.ClH/c9-7(10)4-6(12)5-2-1-3-13-8(5)11;/h1-3,6-7H,4,12H2;1H/t6-;/m0./s1
InChIKeyHLNJAMCXUXZTIA-RGMNGODLSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171222925
(1R)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171313620
(1S)-3,3,3-trifluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171222927
(1S)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312989
(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203354
(1R)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171203362
(1S)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171222929
(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203348
(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine
CID 55294134
(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
CID 171312830
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
CID 55293106
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride (CID 171312984) is (1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride is Cl.N[C@@H](CC(F)F)c1cccnc1F.
What is the InChIKey of (1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride?
The InChIKey is HLNJAMCXUXZTIA-RGMNGODLSA-N. The full InChI is InChI=1S/C8H9F3N2.ClH/c9-7(10)4-6(12)5-2-1-3-13-8(5)11;/h1-3,6-7H,4,12H2;1H/t6-;/m0./s1.
What are the key properties of (1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride?
(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride has a molecular weight of 226.63 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171312984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).