[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol

C15H10F6O2 — CID 134622576

IUPAC[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol
SMILESOCc1c(-c2cccc(OC(F)(F)F)c2)cccc1C(F)(F)F
InChIInChI=1S/C15H10F6O2/c16-14(17,18)13-6-2-5-11(12(13)8-22)9-3-1-4-10(7-9)23-15(19,20)21/h1-7,22H,8H2
InChIKeyFFALUCRZKFESHO-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.76
Rot. Bonds3

About [2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol

[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol (PubChem CID 134622576) has the molecular formula C15H10F6O2 and a molecular weight of 336.23 g/mol. Its IUPAC name is [2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol
PubChem CID134622576
Molecular FormulaC15H10F6O2
Molecular Weight336.23 g/mol
Exact Mass336.06
IUPAC Name[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol
SMILESOCc1c(-c2cccc(OC(F)(F)F)c2)cccc1C(F)(F)F
InChIInChI=1S/C15H10F6O2/c16-14(17,18)13-6-2-5-11(12(13)8-22)9-3-1-4-10(7-9)23-15(19,20)21/h1-7,22H,8H2
InChIKeyFFALUCRZKFESHO-UHFFFAOYSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134622968
5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091674
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186

Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol (CID 134622576) is [2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol is OCc1c(-c2cccc(OC(F)(F)F)c2)cccc1C(F)(F)F.
What is the InChIKey of [2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol?
The InChIKey is FFALUCRZKFESHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O2/c16-14(17,18)13-6-2-5-11(12(13)8-22)9-3-1-4-10(7-9)23-15(19,20)21/h1-7,22H,8H2.
What are the key properties of [2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol?
[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol has a molecular weight of 336.23 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 134622576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).