(2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile

C9H8ClFN2 — CID 130695932

IUPAC(2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile
SMILESCc1ccc(Cl)c([C@@H](N)C#N)c1F
InChIInChI=1S/C9H8ClFN2/c1-5-2-3-6(10)8(9(5)11)7(13)4-12/h2-3,7H,13H2,1H3/t7-/m0/s1
InChIKeyINRIOEMWJBHQMR-ZETCQYMHSA-N
MW198.63 g/mol
LogP2.31
Rot. Bonds1

About (2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile

(2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile (PubChem CID 130695932) has the molecular formula C9H8ClFN2 and a molecular weight of 198.63 g/mol. Its IUPAC name is (2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile
PubChem CID130695932
Molecular FormulaC9H8ClFN2
Molecular Weight198.63 g/mol
Exact Mass198.04
IUPAC Name(2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile
SMILESCc1ccc(Cl)c([C@@H](N)C#N)c1F
InChIInChI=1S/C9H8ClFN2/c1-5-2-3-6(10)8(9(5)11)7(13)4-12/h2-3,7H,13H2,1H3/t7-/m0/s1
InChIKeyINRIOEMWJBHQMR-ZETCQYMHSA-N
XLogP2.31
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171249436
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
(2S)-2-amino-2-(4-chloro-3-methylphenyl)acetonitrile
CID 130685286
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209149
(1R,2S)-1-amino-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 131407763
2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride
CID 13352447
(2S)-2-amino-2-(3-fluoro-2-hydroxy-6-methylphenyl)acetonitrile
CID 130673937
2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetonitrile
CID 130061204
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride
CID 171209145
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
CID 131293734
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile (CID 130695932) is (2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile is Cc1ccc(Cl)c([C@@H](N)C#N)c1F.
What is the InChIKey of (2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile?
The InChIKey is INRIOEMWJBHQMR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8ClFN2/c1-5-2-3-6(10)8(9(5)11)7(13)4-12/h2-3,7H,13H2,1H3/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile?
(2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile has a molecular weight of 198.63 g/mol, XLogP of 2.31, 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-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile is sourced from PubChem (CID 130695932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).