4-(2-fluorophenyl)-4-oxobutanenitrile

C10H8FNO — CID 24723821

IUPAC4-(2-fluorophenyl)-4-oxobutanenitrile
SMILESN#CCCC(=O)c1ccccc1F
InChIInChI=1S/C10H8FNO/c11-9-5-2-1-4-8(9)10(13)6-3-7-12/h1-2,4-5H,3,6H2
InChIKeyGGERJUSCKQINCU-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.31
Rot. Bonds3

About 4-(2-fluorophenyl)-4-oxobutanenitrile

4-(2-fluorophenyl)-4-oxobutanenitrile (PubChem CID 24723821) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4-oxobutanenitrile.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4-oxobutanenitrile
PubChem CID24723821
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name4-(2-fluorophenyl)-4-oxobutanenitrile
SMILESN#CCCC(=O)c1ccccc1F
InChIInChI=1S/C10H8FNO/c11-9-5-2-1-4-8(9)10(13)6-3-7-12/h1-2,4-5H,3,6H2
InChIKeyGGERJUSCKQINCU-UHFFFAOYSA-N
XLogP2.31
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluorophenyl)-4-oxobutanenitrile 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

4-(5-bromo-2-fluorophenyl)-4-oxobutanenitrile
CID 43608246
3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile
CID 62035714
8-(2-fluorophenyl)-8-oxooctanoic acid
CID 24726960
S-(cyanomethyl) 2-fluorobenzenecarbothioate
CID 146534654
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
4-(2,4-dichlorophenyl)-4-oxobutanenitrile
CID 43608235
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
1-(2-fluorophenyl)butane-1,3-dione
CID 15169784
1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione
CID 90354643
4-(2-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 60914023
1-(2-fluorophenyl)-3-propoxypropan-1-one
CID 105085598
2-fluoro-6-(3-phenylpropanoyl)benzonitrile
CID 146010437

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4-oxobutanenitrile?
The IUPAC name of 4-(2-fluorophenyl)-4-oxobutanenitrile (CID 24723821) is 4-(2-fluorophenyl)-4-oxobutanenitrile.
What is the SMILES notation for 4-(2-fluorophenyl)-4-oxobutanenitrile?
The canonical SMILES for 4-(2-fluorophenyl)-4-oxobutanenitrile is N#CCCC(=O)c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-4-oxobutanenitrile?
The InChIKey is GGERJUSCKQINCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-9-5-2-1-4-8(9)10(13)6-3-7-12/h1-2,4-5H,3,6H2.
What are the key properties of 4-(2-fluorophenyl)-4-oxobutanenitrile?
4-(2-fluorophenyl)-4-oxobutanenitrile has a molecular weight of 177.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-4-oxobutanenitrile is sourced from PubChem (CID 24723821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).