2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol

C12H3F7O2 — CID 22178275

IUPAC2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol
SMILESOc1c(F)cc(-c2c(F)c(F)c(O)c(F)c2F)c(F)c1F
InChIInChI=1S/C12H3F7O2/c13-3-1-2(5(14)8(17)11(3)20)4-6(15)9(18)12(21)10(19)7(4)16/h1,20-21H
InChIKeyUHGRVYDBBDCHNT-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.74
Rot. Bonds1

About 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol

2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol (PubChem CID 22178275) has the molecular formula C12H3F7O2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol
PubChem CID22178275
Molecular FormulaC12H3F7O2
Molecular Weight312.14 g/mol
Exact Mass312.00
IUPAC Name2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol
SMILESOc1c(F)cc(-c2c(F)c(F)c(O)c(F)c2F)c(F)c1F
InChIInChI=1S/C12H3F7O2/c13-3-1-2(5(14)8(17)11(3)20)4-6(15)9(18)12(21)10(19)7(4)16/h1,20-21H
InChIKeyUHGRVYDBBDCHNT-UHFFFAOYSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol (CID 22178275) is 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol is Oc1c(F)cc(-c2c(F)c(F)c(O)c(F)c2F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol?
The InChIKey is UHGRVYDBBDCHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F7O2/c13-3-1-2(5(14)8(17)11(3)20)4-6(15)9(18)12(21)10(19)7(4)16/h1,20-21H.
What are the key properties of 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol?
2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol has a molecular weight of 312.14 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol is sourced from PubChem (CID 22178275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).