2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile

C14H8F3NO2 — CID 12971882

IUPAC2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile
SMILESN#Cc1c(Oc2cccc(O)c2)cccc1C(F)(F)F
InChIInChI=1S/C14H8F3NO2/c15-14(16,17)12-5-2-6-13(11(12)8-18)20-10-4-1-3-9(19)7-10/h1-7,19H
InChIKeyVQBGEBYOIZKGOJ-UHFFFAOYSA-N
MW279.22 g/mol
LogP4.07
Rot. Bonds2

About 2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile

2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile (PubChem CID 12971882) has the molecular formula C14H8F3NO2 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile
PubChem CID12971882
Molecular FormulaC14H8F3NO2
Molecular Weight279.22 g/mol
Exact Mass279.05
IUPAC Name2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile
SMILESN#Cc1c(Oc2cccc(O)c2)cccc1C(F)(F)F
InChIInChI=1S/C14H8F3NO2/c15-14(16,17)12-5-2-6-13(11(12)8-18)20-10-4-1-3-9(19)7-10/h1-7,19H
InChIKeyVQBGEBYOIZKGOJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile (CID 12971882) is 2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile is N#Cc1c(Oc2cccc(O)c2)cccc1C(F)(F)F.
What is the InChIKey of 2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile?
The InChIKey is VQBGEBYOIZKGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO2/c15-14(16,17)12-5-2-6-13(11(12)8-18)20-10-4-1-3-9(19)7-10/h1-7,19H.
What are the key properties of 2-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile?
2-(3-hydroxyphenoxy)-6-(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-(3-hydroxyphenoxy)-6-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 12971882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).