3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol

C14H9F6NO2 — CID 146557398

IUPAC3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol
SMILESOc1cc(OCC(F)(F)F)cc(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H9F6NO2/c15-13(16,17)7-23-11-4-8(3-10(22)5-11)12-2-1-9(6-21-12)14(18,19)20/h1-6,22H,7H2
InChIKeyOVVSTMVIRZYGLB-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.41
Rot. Bonds3

About 3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol

3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 146557398) has the molecular formula C14H9F6NO2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID146557398
Molecular FormulaC14H9F6NO2
Molecular Weight337.22 g/mol
Exact Mass337.05
IUPAC Name3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol
SMILESOc1cc(OCC(F)(F)F)cc(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H9F6NO2/c15-13(16,17)7-23-11-4-8(3-10(22)5-11)12-2-1-9(6-21-12)14(18,19)20/h1-6,22H,7H2
InChIKeyOVVSTMVIRZYGLB-UHFFFAOYSA-N
XLogP4.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorobutoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde
CID 122475895
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
CID 173119875
3-(4-tert-butylphenyl)-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 172652161
[3-ethoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol;3-(hydroxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 87631704
3-(2H-tetrazol-5-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68731011
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
CID 70985275
tris[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl] cyclohexane-1,3,5-tricarboxylate
CID 146184091
2-[4-(trifluoromethyl)phenyl]-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293774
4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde
CID 2763359
2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 143209795
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol (CID 146557398) is 3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol is Oc1cc(OCC(F)(F)F)cc(-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is OVVSTMVIRZYGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO2/c15-13(16,17)7-23-11-4-8(3-10(22)5-11)12-2-1-9(6-21-12)14(18,19)20/h1-6,22H,7H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol?
3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol has a molecular weight of 337.22 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)-5-[5-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 146557398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).