4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol

C14H8F6O2 — CID 54042030

IUPAC4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
SMILESOc1ccc(C(F)(F)F)cc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F6O2/c15-13(16,17)8-2-1-3-10(6-8)22-12-7-9(14(18,19)20)4-5-11(12)21/h1-7,21H
InChIKeyJDXLUDGDDRGAQM-UHFFFAOYSA-N
MW322.20 g/mol
LogP5.22
Rot. Bonds2

About 4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol

4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol (PubChem CID 54042030) has the molecular formula C14H8F6O2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
PubChem CID54042030
Molecular FormulaC14H8F6O2
Molecular Weight322.20 g/mol
Exact Mass322.04
IUPAC Name4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
SMILESOc1ccc(C(F)(F)F)cc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F6O2/c15-13(16,17)8-2-1-3-10(6-8)22-12-7-9(14(18,19)20)4-5-11(12)21/h1-7,21H
InChIKeyJDXLUDGDDRGAQM-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

3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
2-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049380
[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 86666206
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
CID 19389250
[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 81237603
[2-hydroxy-5-(trifluoromethyl)phenyl] cyanate
CID 143368578
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
CID 71146552
CID 71146552
[4-[3-(trifluoromethyl)phenoxy]phenoxy]boronic acid
CID 142798495

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol?
The IUPAC name of 4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol (CID 54042030) is 4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol.
What is the SMILES notation for 4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol?
The canonical SMILES for 4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol is Oc1ccc(C(F)(F)F)cc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol?
The InChIKey is JDXLUDGDDRGAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O2/c15-13(16,17)8-2-1-3-10(6-8)22-12-7-9(14(18,19)20)4-5-11(12)21/h1-7,21H.
What are the key properties of 4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol?
4-(trifluoromethyl)-2-[3-(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 4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol is sourced from PubChem (CID 54042030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).