2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile

C14H8ClF2NO — CID 102724091

IUPAC2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C14H8ClF2NO/c15-14-6-13(2-1-10(14)7-18)19-8-9-3-11(16)5-12(17)4-9/h1-6H,8H2
InChIKeyOUCWCHPAVSSWTO-UHFFFAOYSA-N
MW279.67 g/mol
LogP4.07
Rot. Bonds3

About 2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile

2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile (PubChem CID 102724091) has the molecular formula C14H8ClF2NO and a molecular weight of 279.67 g/mol. Its IUPAC name is 2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
PubChem CID102724091
Molecular FormulaC14H8ClF2NO
Molecular Weight279.67 g/mol
Exact Mass279.03
IUPAC Name2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C14H8ClF2NO/c15-14-6-13(2-1-10(14)7-18)19-8-9-3-11(16)5-12(17)4-9/h1-6H,8H2
InChIKeyOUCWCHPAVSSWTO-UHFFFAOYSA-N
XLogP4.07
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[(3,5-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

2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
CID 102674498
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978
2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile
CID 88919533
5-[(3,5-difluorophenyl)methoxy]-2-nitrobenzonitrile
CID 66996234
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
2-chloro-4-(phenylmethoxymethoxy)benzonitrile
CID 102674690
2-chloro-4-(2-ethylbutoxy)benzonitrile
CID 102724077

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile (CID 102724091) is 2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile?
The InChIKey is OUCWCHPAVSSWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2NO/c15-14-6-13(2-1-10(14)7-18)19-8-9-3-11(16)5-12(17)4-9/h1-6H,8H2.
What are the key properties of 2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile?
2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile has a molecular weight of 279.67 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 102724091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).