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

C15H10F3NO — CID 67980772

IUPAC2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C#N
InChIInChI=1S/C15H10F3NO/c1-20-14-8-11(2-3-12(14)9-19)10-4-6-13(7-5-10)15(16,17)18/h2-8H,1H3
InChIKeyXUCIGNUYBDGATA-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.25
Rot. Bonds2

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

2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 67980772) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile
PubChem CID67980772
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C#N
InChIInChI=1S/C15H10F3NO/c1-20-14-8-11(2-3-12(14)9-19)10-4-6-13(7-5-10)15(16,17)18/h2-8H,1H3
InChIKeyXUCIGNUYBDGATA-UHFFFAOYSA-N
XLogP4.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-(trifluoromethyl)benzonitrile
CID 19001376
2-(difluoromethoxy)-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 175686575
2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 53220126
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
2-(4-tert-butylphenyl)-4-(trifluoromethyl)benzonitrile
CID 58873357
2-methoxy-1-(sulfinatoamino)-4-[4-(trifluoromethyl)phenyl]benzene
CID 68858285
4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 81296556
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride
CID 86032170
4-bromo-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 114902415
2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile
CID 43331039

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile (CID 67980772) is 2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile is COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C#N.
What is the InChIKey of 2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is XUCIGNUYBDGATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c1-20-14-8-11(2-3-12(14)9-19)10-4-6-13(7-5-10)15(16,17)18/h2-8H,1H3.
What are the key properties of 2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile?
2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 277.25 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 67980772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).