3-fluoro-4-(1-hydroxyethyl)benzonitrile

C9H8FNO — CID 130733695

IUPAC3-fluoro-4-(1-hydroxyethyl)benzonitrile
SMILESCC(O)c1ccc(C#N)cc1F
InChIInChI=1S/C9H8FNO/c1-6(12)8-3-2-7(5-11)4-9(8)10/h2-4,6,12H,1H3
InChIKeyHFIGSRXRHLMWOW-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.75
Rot. Bonds1

About 3-fluoro-4-(1-hydroxyethyl)benzonitrile

3-fluoro-4-(1-hydroxyethyl)benzonitrile (PubChem CID 130733695) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 3-fluoro-4-(1-hydroxyethyl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(1-hydroxyethyl)benzonitrile
PubChem CID130733695
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name3-fluoro-4-(1-hydroxyethyl)benzonitrile
SMILESCC(O)c1ccc(C#N)cc1F
InChIInChI=1S/C9H8FNO/c1-6(12)8-3-2-7(5-11)4-9(8)10/h2-4,6,12H,1H3
InChIKeyHFIGSRXRHLMWOW-UHFFFAOYSA-N
XLogP1.75
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-4-(1-hydroxyethyl)benzonitrile 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

3-fluoro-4-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile
CID 166089118
4-[(1S)-2-chloro-1-hydroxyethyl]-3-fluorobenzonitrile
CID 130621170
3-fluoro-4-[2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 107666090
3-fluoro-4-[2-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666030
3-(3-hydroxybutan-2-ylsulfanyl)-4-(1-hydroxyethyl)benzonitrile
CID 107772290
4-(4-chloro-1,2-dihydroxybutyl)-3-fluorobenzonitrile
CID 171893826
3-fluoro-4-[(1-fluorocyclohexyl)-hydroxymethyl]benzonitrile
CID 170152009
4-(1-amino-3-hydroxypropyl)-3-fluorobenzonitrile
CID 55298049
3-(5-bromo-2,3-difluorophenoxy)-4-[(1R)-1-hydroxyethyl]benzonitrile
CID 107100113
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile
CID 107719599
3-fluoro-4-[4-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666062
3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzonitrile
CID 62332966

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-hydroxyethyl)benzonitrile?
The IUPAC name of 3-fluoro-4-(1-hydroxyethyl)benzonitrile (CID 130733695) is 3-fluoro-4-(1-hydroxyethyl)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(1-hydroxyethyl)benzonitrile?
The canonical SMILES for 3-fluoro-4-(1-hydroxyethyl)benzonitrile is CC(O)c1ccc(C#N)cc1F.
What is the InChIKey of 3-fluoro-4-(1-hydroxyethyl)benzonitrile?
The InChIKey is HFIGSRXRHLMWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6(12)8-3-2-7(5-11)4-9(8)10/h2-4,6,12H,1H3.
What are the key properties of 3-fluoro-4-(1-hydroxyethyl)benzonitrile?
3-fluoro-4-(1-hydroxyethyl)benzonitrile has a molecular weight of 165.17 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-hydroxyethyl)benzonitrile is sourced from PubChem (CID 130733695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).