5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol

C14H8F6O — CID 134627752

IUPAC5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F6O/c15-13(16,17)9-3-1-2-8(6-9)11-5-4-10(7-12(11)21)14(18,19)20/h1-7,21H
InChIKeyQLXOQDALVABDQC-UHFFFAOYSA-N
MW306.21 g/mol
LogP5.10
Rot. Bonds1

About 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol

5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol (PubChem CID 134627752) has the molecular formula C14H8F6O and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
PubChem CID134627752
Molecular FormulaC14H8F6O
Molecular Weight306.21 g/mol
Exact Mass306.05
IUPAC Name5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F6O/c15-13(16,17)9-3-1-2-8(6-9)11-5-4-10(7-12(11)21)14(18,19)20/h1-7,21H
InChIKeyQLXOQDALVABDQC-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.21
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092048
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 175894605
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol (CID 134627752) is 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol is Oc1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol?
The InChIKey is QLXOQDALVABDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O/c15-13(16,17)9-3-1-2-8(6-9)11-5-4-10(7-12(11)21)14(18,19)20/h1-7,21H.
What are the key properties of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol?
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol has a molecular weight of 306.21 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 134627752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).