2-fluoro-5-(2-hydroxyethyl)benzonitrile

C9H8FNO — CID 83390737

IUPAC2-fluoro-5-(2-hydroxyethyl)benzonitrile
SMILESN#Cc1cc(CCO)ccc1F
InChIInChI=1S/C9H8FNO/c10-9-2-1-7(3-4-12)5-8(9)6-11/h1-2,5,12H,3-4H2
InChIKeyOZCRKXJOKHESTI-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.23
Rot. Bonds2

About 2-fluoro-5-(2-hydroxyethyl)benzonitrile

2-fluoro-5-(2-hydroxyethyl)benzonitrile (PubChem CID 83390737) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-fluoro-5-(2-hydroxyethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(2-hydroxyethyl)benzonitrile
PubChem CID83390737
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-fluoro-5-(2-hydroxyethyl)benzonitrile
SMILESN#Cc1cc(CCO)ccc1F
InChIInChI=1S/C9H8FNO/c10-9-2-1-7(3-4-12)5-8(9)6-11/h1-2,5,12H,3-4H2
InChIKeyOZCRKXJOKHESTI-UHFFFAOYSA-N
XLogP1.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-5-(2-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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-hydroxyethyl)benzonitrile?
The IUPAC name of 2-fluoro-5-(2-hydroxyethyl)benzonitrile (CID 83390737) is 2-fluoro-5-(2-hydroxyethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(2-hydroxyethyl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(2-hydroxyethyl)benzonitrile is N#Cc1cc(CCO)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-hydroxyethyl)benzonitrile?
The InChIKey is OZCRKXJOKHESTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-9-2-1-7(3-4-12)5-8(9)6-11/h1-2,5,12H,3-4H2.
What are the key properties of 2-fluoro-5-(2-hydroxyethyl)benzonitrile?
2-fluoro-5-(2-hydroxyethyl)benzonitrile has a molecular weight of 165.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-hydroxyethyl)benzonitrile is sourced from PubChem (CID 83390737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).