2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile

C14H8F3NO — CID 175686576

IUPAC2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)cc1OC(F)F
InChIInChI=1S/C14H8F3NO/c15-12-5-3-9(4-6-12)10-1-2-11(8-18)13(7-10)19-14(16)17/h1-7,14H
InChIKeyRGEAUOHJSCIAOD-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.97
Rot. Bonds3

About 2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile

2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile (PubChem CID 175686576) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile
PubChem CID175686576
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)cc1OC(F)F
InChIInChI=1S/C14H8F3NO/c15-12-5-3-9(4-6-12)10-1-2-11(8-18)13(7-10)19-14(16)17/h1-7,14H
InChIKeyRGEAUOHJSCIAOD-UHFFFAOYSA-N
XLogP3.97
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
2-(difluoromethoxy)-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 175686575
2-(difluoromethoxy)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 175686558
2-(difluoromethoxy)-4-(3-phenylmethoxyphenyl)benzonitrile
CID 175686570
4-(2-chloro-4-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684104
2-amino-4-(4-fluorophenyl)benzonitrile;ethane
CID 143899726
4-butyl-2-(difluoromethoxy)benzonitrile
CID 162613149
2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
CID 171002990
4-(2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684093
2-bromo-3-(difluoromethoxy)benzonitrile
CID 118996349
3-(difluoromethoxy)pyridine-4-carbonitrile
CID 131231725
4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile
CID 168965451

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile?
The IUPAC name of 2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile (CID 175686576) is 2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile.
What is the SMILES notation for 2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile?
The canonical SMILES for 2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile is N#Cc1ccc(-c2ccc(F)cc2)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile?
The InChIKey is RGEAUOHJSCIAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-12-5-3-9(4-6-12)10-1-2-11(8-18)13(7-10)19-14(16)17/h1-7,14H.
What are the key properties of 2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile?
2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile has a molecular weight of 263.22 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile is sourced from PubChem (CID 175686576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).