2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol

C14H8F6O2 — CID 21466577

IUPAC2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
SMILESOc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H8F6O2/c15-13(16,17)8-1-3-9(4-2-8)22-10-5-6-12(21)11(7-10)14(18,19)20/h1-7,21H
InChIKeySSQFQLNURLZSNY-UHFFFAOYSA-N
MW322.20 g/mol
LogP5.22
Rot. Bonds2

About 2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol

2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol (PubChem CID 21466577) has the molecular formula C14H8F6O2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
PubChem CID21466577
Molecular FormulaC14H8F6O2
Molecular Weight322.20 g/mol
Exact Mass322.04
IUPAC Name2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
SMILESOc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H8F6O2/c15-13(16,17)8-1-3-9(4-2-8)22-10-5-6-12(21)11(7-10)14(18,19)20/h1-7,21H
InChIKeySSQFQLNURLZSNY-UHFFFAOYSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.20
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
CID 21466174
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol
CID 163225602
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102
methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate
CID 14554238
[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide
CID 154400720
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11531206
2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol
CID 174418680
1-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 67387269
CID 175976474
CID 175976474
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol?
The IUPAC name of 2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol (CID 21466577) is 2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol.
What is the SMILES notation for 2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol?
The canonical SMILES for 2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol is Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol?
The InChIKey is SSQFQLNURLZSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O2/c15-13(16,17)8-1-3-9(4-2-8)22-10-5-6-12(21)11(7-10)14(18,19)20/h1-7,21H.
What are the key properties of 2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol?
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol has a molecular weight of 322.20 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol is sourced from PubChem (CID 21466577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).