2-fluoro-4,4-dimethyl-3-oxopentanenitrile

C7H10FNO — CID 18368932

IUPAC2-fluoro-4,4-dimethyl-3-oxopentanenitrile
SMILESCC(C)(C)C(=O)C(F)C#N
InChIInChI=1S/C7H10FNO/c1-7(2,3)6(10)5(8)4-9/h5H,1-3H3
InChIKeyWSAJKOUEWHRILZ-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.46
Rot. Bonds1

About 2-fluoro-4,4-dimethyl-3-oxopentanenitrile

2-fluoro-4,4-dimethyl-3-oxopentanenitrile (PubChem CID 18368932) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 2-fluoro-4,4-dimethyl-3-oxopentanenitrile.

Molecular Properties

Compound Name2-fluoro-4,4-dimethyl-3-oxopentanenitrile
PubChem CID18368932
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name2-fluoro-4,4-dimethyl-3-oxopentanenitrile
SMILESCC(C)(C)C(=O)C(F)C#N
InChIInChI=1S/C7H10FNO/c1-7(2,3)6(10)5(8)4-9/h5H,1-3H3
InChIKeyWSAJKOUEWHRILZ-UHFFFAOYSA-N
XLogP1.46
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4,4-dimethyl-3-oxopentanenitrile 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-fluoro-4,4-dimethyl-3-oxopentanenitrile?
The IUPAC name of 2-fluoro-4,4-dimethyl-3-oxopentanenitrile (CID 18368932) is 2-fluoro-4,4-dimethyl-3-oxopentanenitrile.
What is the SMILES notation for 2-fluoro-4,4-dimethyl-3-oxopentanenitrile?
The canonical SMILES for 2-fluoro-4,4-dimethyl-3-oxopentanenitrile is CC(C)(C)C(=O)C(F)C#N.
What is the InChIKey of 2-fluoro-4,4-dimethyl-3-oxopentanenitrile?
The InChIKey is WSAJKOUEWHRILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-7(2,3)6(10)5(8)4-9/h5H,1-3H3.
What are the key properties of 2-fluoro-4,4-dimethyl-3-oxopentanenitrile?
2-fluoro-4,4-dimethyl-3-oxopentanenitrile has a molecular weight of 143.16 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,4-dimethyl-3-oxopentanenitrile is sourced from PubChem (CID 18368932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).