[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol

C15H10F6O2 — CID 86666206

IUPAC[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESOCc1ccc(Oc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F6O2/c16-14(17,18)10-2-1-3-11(7-10)23-13-5-4-9(8-22)6-12(13)15(19,20)21/h1-7,22H,8H2
InChIKeyCXYCUOFBSAVOMO-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.01
Rot. Bonds3

About [3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol

[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol (PubChem CID 86666206) has the molecular formula C15H10F6O2 and a molecular weight of 336.23 g/mol. Its IUPAC name is [3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
PubChem CID86666206
Molecular FormulaC15H10F6O2
Molecular Weight336.23 g/mol
Exact Mass336.06
IUPAC Name[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESOCc1ccc(Oc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F6O2/c16-14(17,18)10-2-1-3-11(7-10)23-13-5-4-9(8-22)6-12(13)15(19,20)21/h1-7,22H,8H2
InChIKeyCXYCUOFBSAVOMO-UHFFFAOYSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol
CID 71240983
[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284
[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 13090688
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 81237603
[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol
CID 116793015
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 115512002
[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 61229517
4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
CID 115468217
1-methyl-3-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one
CID 88774797
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol?
The IUPAC name of [3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol (CID 86666206) is [3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol is OCc1ccc(Oc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol?
The InChIKey is CXYCUOFBSAVOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O2/c16-14(17,18)10-2-1-3-11(7-10)23-13-5-4-9(8-22)6-12(13)15(19,20)21/h1-7,22H,8H2.
What are the key properties of [3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol?
[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol has a molecular weight of 336.23 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 86666206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).