3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile

C11H10F2N2O — CID 81294710

IUPAC3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile
SMILESN#Cc1cc(F)c(N2CC(CO)C2)c(F)c1
InChIInChI=1S/C11H10F2N2O/c12-9-1-7(3-14)2-10(13)11(9)15-4-8(5-15)6-16/h1-2,8,16H,4-6H2
InChIKeyWBIUVDGUVOFGIU-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.26
Rot. Bonds2

About 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile

3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile (PubChem CID 81294710) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile
PubChem CID81294710
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile
SMILESN#Cc1cc(F)c(N2CC(CO)C2)c(F)c1
InChIInChI=1S/C11H10F2N2O/c12-9-1-7(3-14)2-10(13)11(9)15-4-8(5-15)6-16/h1-2,8,16H,4-6H2
InChIKeyWBIUVDGUVOFGIU-UHFFFAOYSA-N
XLogP1.26
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]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

3,5-difluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzonitrile
CID 78998796
3,5-difluoro-4-[(3S)-3-hydroxypiperidin-1-yl]benzonitrile
CID 107225503
3,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]benzonitrile
CID 104976145
N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide
CID 60609370
4-(4-ethylazepan-1-yl)-3,5-difluorobenzonitrile
CID 78992299
1-(4-cyano-2,6-difluorophenyl)piperidine-3-carboxylic acid
CID 81293301
4-(4-cyano-2,6-difluorophenyl)morpholine-2-carboxylic acid
CID 81293789
4-(1,3-dihydroisoindol-2-yl)-3,5-difluorobenzonitrile
CID 78945837
[1-[2,6-difluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626308
3,5-difluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 81285282
3,5-difluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397699
3,5-difluoro-4-(3-piperidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 78949602

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile?
The IUPAC name of 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile (CID 81294710) is 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile?
The canonical SMILES for 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile is N#Cc1cc(F)c(N2CC(CO)C2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile?
The InChIKey is WBIUVDGUVOFGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-9-1-7(3-14)2-10(13)11(9)15-4-8(5-15)6-16/h1-2,8,16H,4-6H2.
What are the key properties of 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile?
3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile has a molecular weight of 224.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile is sourced from PubChem (CID 81294710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).