(2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile

C8H6F2N2 — CID 51887355

IUPAC(2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile
SMILESN#C[C@@H](N)c1cc(F)ccc1F
InChIInChI=1S/C8H6F2N2/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8H,12H2/t8-/m1/s1
InChIKeyKHFQZWKSHNKHJN-MRVPVSSYSA-N
MW168.15 g/mol
LogP1.49
Rot. Bonds1

About (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile

(2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile (PubChem CID 51887355) has the molecular formula C8H6F2N2 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile
PubChem CID51887355
Molecular FormulaC8H6F2N2
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile
SMILESN#C[C@@H](N)c1cc(F)ccc1F
InChIInChI=1S/C8H6F2N2/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8H,12H2/t8-/m1/s1
InChIKeyKHFQZWKSHNKHJN-MRVPVSSYSA-N
XLogP1.49
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 130634473
1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile
CID 116942939
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
2-(2,5-difluorophenyl)-2-isocyanatoacetonitrile
CID 82885512
2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile
CID 130060116
3-[amino-(2,5-difluorophenyl)methyl]oxetane-3-carbonitrile
CID 116944480
2-(2,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65420307
2-(2,5-difluorophenyl)-2-ethoxyacetonitrile
CID 66071519
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
(2,4-difluorophenyl)methanediamine
CID 116939170
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile?
The IUPAC name of (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile (CID 51887355) is (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile.
What is the SMILES notation for (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile?
The canonical SMILES for (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile is N#C[C@@H](N)c1cc(F)ccc1F.
What is the InChIKey of (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile?
The InChIKey is KHFQZWKSHNKHJN-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H6F2N2/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8H,12H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile?
(2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile has a molecular weight of 168.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile is sourced from PubChem (CID 51887355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).