(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride

C8H8BrClF3N — CID 171247886

IUPAC(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(F)c1Br)C(F)F
InChIInChI=1S/C8H7BrF3N.ClH/c9-6-4(7(13)8(11)12)2-1-3-5(6)10;/h1-3,7-8H,13H2;1H/t7-;/m0./s1
InChIKeySMAJWRSGSLILCR-FJXQXJEOSA-N
MW290.51 g/mol
LogP3.27
Rot. Bonds2

About (1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride

(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 171247886) has the molecular formula C8H8BrClF3N and a molecular weight of 290.51 g/mol. Its IUPAC name is (1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID171247886
Molecular FormulaC8H8BrClF3N
Molecular Weight290.51 g/mol
Exact Mass288.95
IUPAC Name(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(F)c1Br)C(F)F
InChIInChI=1S/C8H7BrF3N.ClH/c9-6-4(7(13)8(11)12)2-1-3-5(6)10;/h1-3,7-8H,13H2;1H/t7-;/m0./s1
InChIKeySMAJWRSGSLILCR-FJXQXJEOSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
CID 171267994
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083
(1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312338
(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 130700725
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol
CID 171268000
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 115851739
(3R)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247890
(3S)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241172
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride (CID 171247886) is (1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride is Cl.N[C@@H](c1cccc(F)c1Br)C(F)F.
What is the InChIKey of (1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is SMAJWRSGSLILCR-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H7BrF3N.ClH/c9-6-4(7(13)8(11)12)2-1-3-5(6)10;/h1-3,7-8H,13H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride?
(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 290.51 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 171247886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).