(2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile

C8H6BrFN2 — CID 130055048

IUPAC(2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile
SMILESN#C[C@H](N)c1ccc(Br)c(F)c1
InChIInChI=1S/C8H6BrFN2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,12H2/t8-/m0/s1
InChIKeyOSWYFPDWCSCGON-QMMMGPOBSA-N
MW229.05 g/mol
LogP2.11
Rot. Bonds1

About (2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile

(2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile (PubChem CID 130055048) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile
PubChem CID130055048
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name(2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile
SMILESN#C[C@H](N)c1ccc(Br)c(F)c1
InChIInChI=1S/C8H6BrFN2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,12H2/t8-/m0/s1
InChIKeyOSWYFPDWCSCGON-QMMMGPOBSA-N
XLogP2.11
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-bromo-4-fluorophenyl)acetonitrile
CID 16787208
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)acetonitrile
CID 131057211
(3R)-3-amino-3-(4-bromo-3-fluorophenyl)propanenitrile
CID 131054714
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
(1S)-1-(4-bromo-3-fluorophenyl)butan-1-amine
CID 130730633
2-amino-2-(4-bromo-3-nitrophenyl)acetonitrile
CID 130060051
2-(4-bromo-3-fluorophenyl)-2-piperazin-1-ylacetonitrile
CID 81436966
(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171201771
(1S)-1-(4-bromo-3-fluorophenyl)prop-2-en-1-amine
CID 130641131
1-(4-bromo-3-fluorophenyl)prop-2-en-1-amine
CID 112693549
3-(4-bromo-3-fluorophenyl)-3-hydroxypropanenitrile
CID 81441405
(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile
CID 130723637

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile (CID 130055048) is (2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile is N#C[C@H](N)c1ccc(Br)c(F)c1.
What is the InChIKey of (2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile?
The InChIKey is OSWYFPDWCSCGON-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H6BrFN2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,12H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile?
(2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile has a molecular weight of 229.05 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile is sourced from PubChem (CID 130055048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).