2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile

C14H8F3NO2 — CID 12805692

IUPAC2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Oc1ccccc1O
InChIInChI=1S/C14H8F3NO2/c15-14(16,17)10-5-6-12(9(7-10)8-18)20-13-4-2-1-3-11(13)19/h1-7,19H
InChIKeyPJRWCCOSENDQOA-UHFFFAOYSA-N
MW279.22 g/mol
LogP4.07
Rot. Bonds2

About 2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile

2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile (PubChem CID 12805692) has the molecular formula C14H8F3NO2 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile
PubChem CID12805692
Molecular FormulaC14H8F3NO2
Molecular Weight279.22 g/mol
Exact Mass279.05
IUPAC Name2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Oc1ccccc1O
InChIInChI=1S/C14H8F3NO2/c15-14(16,17)10-5-6-12(9(7-10)8-18)20-13-4-2-1-3-11(13)19/h1-7,19H
InChIKeyPJRWCCOSENDQOA-UHFFFAOYSA-N
XLogP4.07
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 63269377
2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile
CID 83409482
2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 114672339
2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile
CID 118679156
2-(3-hydroxypropoxy)-5-(trifluoromethyl)benzonitrile
CID 43153605
2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile
CID 163361366
2-(4-nitrophenoxy)-5-(trifluoromethyl)benzonitrile
CID 23344653
5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 107928062
2-methoxy-4-(trifluoromethyl)benzonitrile
CID 19001376
[2-hydroxy-5-(trifluoromethyl)phenyl] cyanate
CID 143368578
[2-cyano-4-(trifluoromethyl)phenyl]boronic acid
CID 53216599
2-(2-cyanophenoxy)benzonitrile
CID 13435570

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile (CID 12805692) is 2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1Oc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile?
The InChIKey is PJRWCCOSENDQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO2/c15-14(16,17)10-5-6-12(9(7-10)8-18)20-13-4-2-1-3-11(13)19/h1-7,19H.
What are the key properties of 2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile?
2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile has a molecular weight of 279.22 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 12805692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).