2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile

C15H9F4NO — CID 18525684

IUPAC2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F4NO/c16-13-2-1-3-14(12(13)8-20)21-9-10-4-6-11(7-5-10)15(17,18)19/h1-7H,9H2
InChIKeyRKCYXVGHBZQVHY-UHFFFAOYSA-N
MW295.24 g/mol
LogP4.30
Rot. Bonds3

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

2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile (PubChem CID 18525684) has the molecular formula C15H9F4NO and a molecular weight of 295.24 g/mol. Its IUPAC name is 2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
PubChem CID18525684
Molecular FormulaC15H9F4NO
Molecular Weight295.24 g/mol
Exact Mass295.06
IUPAC Name2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F4NO/c16-13-2-1-3-14(12(13)8-20)21-9-10-4-6-11(7-5-10)15(17,18)19/h1-7H,9H2
InChIKeyRKCYXVGHBZQVHY-UHFFFAOYSA-N
XLogP4.30
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile
CID 79015665
2-[(4-cyano-3-methoxyphenyl)methoxy]-6-fluorobenzonitrile
CID 106788587
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
CID 115766284
4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 63036941
2-fluoro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzonitrile
CID 116628106
2-(3,3-dimethylbutoxy)-6-fluorobenzonitrile
CID 79513134
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile (CID 18525684) is 2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile is N#Cc1c(F)cccc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile?
The InChIKey is RKCYXVGHBZQVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO/c16-13-2-1-3-14(12(13)8-20)21-9-10-4-6-11(7-5-10)15(17,18)19/h1-7H,9H2.
What are the key properties of 2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile?
2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile has a molecular weight of 295.24 g/mol, XLogP of 4.30, 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-(trifluoromethyl)phenyl]methoxy]benzonitrile is sourced from PubChem (CID 18525684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).