4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol

C14H8F6O4 — CID 139790493

IUPAC4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
SMILESOc1ccc(-c2ccc(O)cc2OC(F)(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C14H8F6O4/c15-13(16,17)23-11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)24-14(18,19)20/h1-6,21-22H
InChIKeyIMDWZMCFDNMPCU-UHFFFAOYSA-N
MW354.20 g/mol
LogP4.56
Rot. Bonds3

About 4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol

4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol (PubChem CID 139790493) has the molecular formula C14H8F6O4 and a molecular weight of 354.20 g/mol. Its IUPAC name is 4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
PubChem CID139790493
Molecular FormulaC14H8F6O4
Molecular Weight354.20 g/mol
Exact Mass354.03
IUPAC Name4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
SMILESOc1ccc(-c2ccc(O)cc2OC(F)(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C14H8F6O4/c15-13(16,17)23-11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)24-14(18,19)20/h1-6,21-22H
InChIKeyIMDWZMCFDNMPCU-UHFFFAOYSA-N
XLogP4.56
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol?
The IUPAC name of 4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol (CID 139790493) is 4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol?
The canonical SMILES for 4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol is Oc1ccc(-c2ccc(O)cc2OC(F)(F)F)c(OC(F)(F)F)c1.
What is the InChIKey of 4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol?
The InChIKey is IMDWZMCFDNMPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O4/c15-13(16,17)23-11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)24-14(18,19)20/h1-6,21-22H.
What are the key properties of 4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol?
4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol has a molecular weight of 354.20 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol is sourced from PubChem (CID 139790493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).