3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile

C15H10F3NO — CID 150029896

IUPAC3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)14-7-2-1-5-12(14)10-20-13-6-3-4-11(8-13)9-19/h1-8H,10H2
InChIKeyDHAJKLXVAFFJTR-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.16
Rot. Bonds3

About 3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile

3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile (PubChem CID 150029896) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
PubChem CID150029896
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)14-7-2-1-5-12(14)10-20-13-6-3-4-11(8-13)9-19/h1-8H,10H2
InChIKeyDHAJKLXVAFFJTR-UHFFFAOYSA-N
XLogP4.16
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 43231297
3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 141490494
methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate
CID 115460593
[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate
CID 175149197
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine
CID 69306733
4-[(3-cyanophenoxy)methyl]-3-methylbenzonitrile
CID 114481500
6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3-benzothiazole-2-carbonitrile
CID 58797707
3-(2-cyano-3,3,3-trifluoropropoxy)benzonitrile
CID 103368272
3-[(3-cyanophenoxy)methyl]-4-fluorobenzoic acid
CID 107451983
3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]benzonitrile
CID 10239707
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile (CID 150029896) is 3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile is N#Cc1cccc(OCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile?
The InChIKey is DHAJKLXVAFFJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-15(17,18)14-7-2-1-5-12(14)10-20-13-6-3-4-11(8-13)9-19/h1-8H,10H2.
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile?
3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile has a molecular weight of 277.25 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile is sourced from PubChem (CID 150029896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).