4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile

C14H8F3NO2 — CID 134626617

IUPAC4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(O)c(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C14H8F3NO2/c15-14(16,17)20-13-4-2-1-3-10(13)11-7-9(8-18)5-6-12(11)19/h1-7,19H
InChIKeyMCIZDCOPMATVSM-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.83
Rot. Bonds2

About 4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile

4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile (PubChem CID 134626617) has the molecular formula C14H8F3NO2 and a molecular weight of 279.22 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile.

Molecular Properties

Compound Name4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile
PubChem CID134626617
Molecular FormulaC14H8F3NO2
Molecular Weight279.22 g/mol
Exact Mass279.05
IUPAC Name4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(O)c(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C14H8F3NO2/c15-14(16,17)20-13-4-2-1-3-10(13)11-7-9(8-18)5-6-12(11)19/h1-7,19H
InChIKeyMCIZDCOPMATVSM-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 134629098
3-fluoro-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626601
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 11391442
2,3-difluoro-4-[2-(trifluoromethoxy)phenyl]phenol
CID 119015626
3-chloro-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134629802
4-[2-[4-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]benzonitrile
CID 57031804
2-[1,6-bis[4-cyano-2-(trifluoromethoxy)phenyl]-10-(dicyanomethylidene)indeno[2,1-a]inden-5-ylidene]propanedinitrile
CID 155003127
3-methoxy-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 172989952
3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile
CID 13415173
4-(cyanomethyl)-3-(trifluoromethoxy)benzonitrile
CID 118845119

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile?
The IUPAC name of 4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile (CID 134626617) is 4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile.
What is the SMILES notation for 4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile?
The canonical SMILES for 4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile is N#Cc1ccc(O)c(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile?
The InChIKey is MCIZDCOPMATVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO2/c15-14(16,17)20-13-4-2-1-3-10(13)11-7-9(8-18)5-6-12(11)19/h1-7,19H.
What are the key properties of 4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile?
4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile has a molecular weight of 279.22 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile is sourced from PubChem (CID 134626617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).