2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile

C14H8Cl2FNO — CID 102724027

IUPAC2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(F)cc2Cl)cc1Cl
InChIInChI=1S/C14H8Cl2FNO/c15-13-5-11(17)3-1-10(13)8-19-12-4-2-9(7-18)14(16)6-12/h1-6H,8H2
InChIKeyGDUMLYXVCXVBDT-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.58
Rot. Bonds3

About 2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile

2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile (PubChem CID 102724027) has the molecular formula C14H8Cl2FNO and a molecular weight of 296.13 g/mol. Its IUPAC name is 2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
PubChem CID102724027
Molecular FormulaC14H8Cl2FNO
Molecular Weight296.13 g/mol
Exact Mass295.00
IUPAC Name2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(F)cc2Cl)cc1Cl
InChIInChI=1S/C14H8Cl2FNO/c15-13-5-11(17)3-1-10(13)8-19-12-4-2-9(7-18)14(16)6-12/h1-6H,8H2
InChIKeyGDUMLYXVCXVBDT-UHFFFAOYSA-N
XLogP4.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 102724091
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
CID 103759928
2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
CID 102674498
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
2-[2-[(3-chloro-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 102723934
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547
2-chloro-1-[[3-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]-4-fluorobenzene
CID 155776367

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile (CID 102724027) is 2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2ccc(F)cc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile?
The InChIKey is GDUMLYXVCXVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO/c15-13-5-11(17)3-1-10(13)8-19-12-4-2-9(7-18)14(16)6-12/h1-6H,8H2.
What are the key properties of 2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile?
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile has a molecular weight of 296.13 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 102724027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).