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

C8H9ClF3N — CID 171245936

IUPAC(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(F)c1)C(F)F
InChIInChI=1S/C8H8F3N.ClH/c9-6-3-1-2-5(4-6)7(12)8(10)11;/h1-4,7-8H,12H2;1H/t7-;/m0./s1
InChIKeyKKXCQBSWKPXTSF-FJXQXJEOSA-N
MW211.61 g/mol
LogP2.51
Rot. Bonds2

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

(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride (PubChem CID 171245936) has the molecular formula C8H9ClF3N and a molecular weight of 211.61 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
PubChem CID171245936
Molecular FormulaC8H9ClF3N
Molecular Weight211.61 g/mol
Exact Mass211.04
IUPAC Name(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(F)c1)C(F)F
InChIInChI=1S/C8H8F3N.ClH/c9-6-3-1-2-5(4-6)7(12)8(10)11;/h1-4,7-8H,12H2;1H/t7-;/m0./s1
InChIKeyKKXCQBSWKPXTSF-FJXQXJEOSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171161576
3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
CID 171238999
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
1-(3-fluorophenyl)-2-methoxypropan-1-amine
CID 79616556
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158
(1R,2S)-1-amino-1-(3-fluorophenyl)-4-methylpentan-2-ol
CID 171160142
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride (CID 171245936) is (1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride is Cl.N[C@@H](c1cccc(F)c1)C(F)F.
What is the InChIKey of (1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is KKXCQBSWKPXTSF-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H8F3N.ClH/c9-6-3-1-2-5(4-6)7(12)8(10)11;/h1-4,7-8H,12H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride?
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 211.61 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171245936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).