3-[(2,3-difluorophenyl)methoxy]benzonitrile

C14H9F2NO — CID 43231297

IUPAC3-[(2,3-difluorophenyl)methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2cccc(F)c2F)c1
InChIInChI=1S/C14H9F2NO/c15-13-6-2-4-11(14(13)16)9-18-12-5-1-3-10(7-12)8-17/h1-7H,9H2
InChIKeyGPMQTSHDLGODCJ-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.42
Rot. Bonds3

About 3-[(2,3-difluorophenyl)methoxy]benzonitrile

3-[(2,3-difluorophenyl)methoxy]benzonitrile (PubChem CID 43231297) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methoxy]benzonitrile
PubChem CID43231297
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name3-[(2,3-difluorophenyl)methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2cccc(F)c2F)c1
InChIInChI=1S/C14H9F2NO/c15-13-6-2-4-11(14(13)16)9-18-12-5-1-3-10(7-12)8-17/h1-7H,9H2
InChIKeyGPMQTSHDLGODCJ-UHFFFAOYSA-N
XLogP3.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2,3-difluorophenyl)methoxy]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-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
CID 78952689
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
3-chloro-4-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 60695071
N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 90241589
3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 150029896
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
CID 43231298
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
3-[(3-cyanophenoxy)methyl]-4-fluorobenzoic acid
CID 107451983
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
4-[(3-cyanophenoxy)methyl]-3-methylbenzonitrile
CID 114481500
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methoxy]benzonitrile?
The IUPAC name of 3-[(2,3-difluorophenyl)methoxy]benzonitrile (CID 43231297) is 3-[(2,3-difluorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methoxy]benzonitrile?
The canonical SMILES for 3-[(2,3-difluorophenyl)methoxy]benzonitrile is N#Cc1cccc(OCc2cccc(F)c2F)c1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methoxy]benzonitrile?
The InChIKey is GPMQTSHDLGODCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c15-13-6-2-4-11(14(13)16)9-18-12-5-1-3-10(7-12)8-17/h1-7H,9H2.
What are the key properties of 3-[(2,3-difluorophenyl)methoxy]benzonitrile?
3-[(2,3-difluorophenyl)methoxy]benzonitrile has a molecular weight of 245.23 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 43231297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).