2-amino-2-(4-fluorophenyl)acetonitrile

C8H7FN2 — CID 2735922

IUPAC2-amino-2-(4-fluorophenyl)acetonitrile
SMILESN#CC(N)c1ccc(F)cc1
InChIInChI=1S/C8H7FN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,11H2
InChIKeyHAEXHZOJAUQXNI-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.35
Rot. Bonds1

About 2-amino-2-(4-fluorophenyl)acetonitrile

2-amino-2-(4-fluorophenyl)acetonitrile (PubChem CID 2735922) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 2-amino-2-(4-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(4-fluorophenyl)acetonitrile
PubChem CID2735922
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name2-amino-2-(4-fluorophenyl)acetonitrile
SMILESN#CC(N)c1ccc(F)cc1
InChIInChI=1S/C8H7FN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,11H2
InChIKeyHAEXHZOJAUQXNI-UHFFFAOYSA-N
XLogP1.35
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(4-fluorophenyl)acetonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluorophenyl)acetonitrile?
The IUPAC name of 2-amino-2-(4-fluorophenyl)acetonitrile (CID 2735922) is 2-amino-2-(4-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(4-fluorophenyl)acetonitrile?
The canonical SMILES for 2-amino-2-(4-fluorophenyl)acetonitrile is N#CC(N)c1ccc(F)cc1.
What is the InChIKey of 2-amino-2-(4-fluorophenyl)acetonitrile?
The InChIKey is HAEXHZOJAUQXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,11H2.
What are the key properties of 2-amino-2-(4-fluorophenyl)acetonitrile?
2-amino-2-(4-fluorophenyl)acetonitrile has a molecular weight of 150.16 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorophenyl)acetonitrile is sourced from PubChem (CID 2735922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).