2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile

C14H9F2NO — CID 24777146

IUPAC2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OCc1ccc(F)cc1
InChIInChI=1S/C14H9F2NO/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7H,9H2
InChIKeyUUCOYPYSFDJDHV-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.42
Rot. Bonds3

About 2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile

2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile (PubChem CID 24777146) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
PubChem CID24777146
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OCc1ccc(F)cc1
InChIInChI=1S/C14H9F2NO/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7H,9H2
InChIKeyUUCOYPYSFDJDHV-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

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Related Compounds

2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 18525684
2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile
CID 79015665
2-[(4-cyano-3-methoxyphenyl)methoxy]-6-fluorobenzonitrile
CID 106788587
2-fluoro-6-[2-(4-methylphenyl)ethoxy]benzonitrile
CID 66924061
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
CID 69356263
2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
CID 113411841
2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
CID 115766284
4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 63036941
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088
2-but-3-ynoxy-6-fluorobenzonitrile
CID 63656850
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile
CID 79764862

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile (CID 24777146) is 2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile is N#Cc1c(F)cccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile?
The InChIKey is UUCOYPYSFDJDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7H,9H2.
What are the key properties of 2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile?
2-fluoro-6-[(4-fluorophenyl)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 2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 24777146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).