2-amino-2-(fluoromethyl)butanenitrile

C5H9FN2 — CID 123410406

IUPAC2-amino-2-(fluoromethyl)butanenitrile
SMILESCCC(N)(C#N)CF
InChIInChI=1S/C5H9FN2/c1-2-5(8,3-6)4-7/h2-3,8H2,1H3
InChIKeyFVKJGQLTAMXBAW-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.59
Rot. Bonds2

About 2-amino-2-(fluoromethyl)butanenitrile

2-amino-2-(fluoromethyl)butanenitrile (PubChem CID 123410406) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)butanenitrile.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)butanenitrile
PubChem CID123410406
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name2-amino-2-(fluoromethyl)butanenitrile
SMILESCCC(N)(C#N)CF
InChIInChI=1S/C5H9FN2/c1-2-5(8,3-6)4-7/h2-3,8H2,1H3
InChIKeyFVKJGQLTAMXBAW-UHFFFAOYSA-N
XLogP0.59
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(fluoromethyl)butanenitrile 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-(fluoromethyl)butanenitrile?
The IUPAC name of 2-amino-2-(fluoromethyl)butanenitrile (CID 123410406) is 2-amino-2-(fluoromethyl)butanenitrile.
What is the SMILES notation for 2-amino-2-(fluoromethyl)butanenitrile?
The canonical SMILES for 2-amino-2-(fluoromethyl)butanenitrile is CCC(N)(C#N)CF.
What is the InChIKey of 2-amino-2-(fluoromethyl)butanenitrile?
The InChIKey is FVKJGQLTAMXBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c1-2-5(8,3-6)4-7/h2-3,8H2,1H3.
What are the key properties of 2-amino-2-(fluoromethyl)butanenitrile?
2-amino-2-(fluoromethyl)butanenitrile has a molecular weight of 116.14 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(fluoromethyl)butanenitrile is sourced from PubChem (CID 123410406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).