(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile

C9H7F3N2 — CID 30076959

IUPAC(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile
SMILESN#C[C@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N2/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-4,8H,14H2/t8-/m0/s1
InChIKeyXNINJDSNBGQKDL-QMMMGPOBSA-N
MW200.16 g/mol
LogP2.23
Rot. Bonds1

About (2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile

(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 30076959) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is (2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile
PubChem CID30076959
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile
SMILESN#C[C@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N2/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-4,8H,14H2/t8-/m0/s1
InChIKeyXNINJDSNBGQKDL-QMMMGPOBSA-N
XLogP2.23
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethyl)phenyl]butanenitrile
CID 66855883
3-amino-2-[4-(trifluoromethyl)phenyl]propanenitrile;azane
CID 175935687
(2R)-2-amino-2-(4-aminophenyl)acetonitrile
CID 126961304
(2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 130961813
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
2,3-bis[4-(trifluoromethyl)phenyl]propanenitrile
CID 594365
2-[4-(trifluoromethyl)phenyl]pentanedinitrile
CID 70527971
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
2-[4-[4-[amino(cyano)methyl]phenyl]phenyl]propanedinitrile
CID 155326080
(3S)-3-[4-(trifluoromethyl)phenyl]butanenitrile
CID 124509787
(3S)-2,2-diethyl-3-[4-(trifluoromethyl)phenyl]butanenitrile
CID 155351110
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 54893055

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of (2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile (CID 30076959) is (2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for (2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile is N#C[C@H](N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is XNINJDSNBGQKDL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H7F3N2/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-4,8H,14H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile?
(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 200.16 g/mol, XLogP of 2.23, 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-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 30076959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).