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

C14H8ClF2NO — CID 102674498

IUPAC2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C14H8ClF2NO/c15-12-6-11(3-2-10(12)7-18)19-8-9-1-4-13(16)14(17)5-9/h1-6H,8H2
InChIKeyZXQZPZCDLQVVAN-UHFFFAOYSA-N
MW279.67 g/mol
LogP4.07
Rot. Bonds3

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

2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile (PubChem CID 102674498) has the molecular formula C14H8ClF2NO and a molecular weight of 279.67 g/mol. Its IUPAC name is 2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
PubChem CID102674498
Molecular FormulaC14H8ClF2NO
Molecular Weight279.67 g/mol
Exact Mass279.03
IUPAC Name2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C14H8ClF2NO/c15-12-6-11(3-2-10(12)7-18)19-8-9-1-4-13(16)14(17)5-9/h1-6H,8H2
InChIKeyZXQZPZCDLQVVAN-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

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Related Compounds

2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 102724091
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
3-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 82914917
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102794503
4-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788655
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile (CID 102674498) is 2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2ccc(F)c(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile?
The InChIKey is ZXQZPZCDLQVVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2NO/c15-12-6-11(3-2-10(12)7-18)19-8-9-1-4-13(16)14(17)5-9/h1-6H,8H2.
What are the key properties of 2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile?
2-chloro-4-[(3,4-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-[(3,4-difluorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 102674498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).