2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol

C14H2F12O2 — CID 22003363

IUPAC2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol
SMILESOc1c(F)c(F)c(C(F)(c2c(F)c(F)c(O)c(F)c2F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C14H2F12O2/c15-3-1(4(16)8(20)11(27)7(3)19)13(23,14(24,25)26)2-5(17)9(21)12(28)10(22)6(2)18/h27-28H
InChIKeyWSFHXEDYNPXQBV-UHFFFAOYSA-N
MW430.14 g/mol
LogP4.99
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol

2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol (PubChem CID 22003363) has the molecular formula C14H2F12O2 and a molecular weight of 430.14 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol
PubChem CID22003363
Molecular FormulaC14H2F12O2
Molecular Weight430.14 g/mol
Exact Mass429.99
IUPAC Name2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol
SMILESOc1c(F)c(F)c(C(F)(c2c(F)c(F)c(O)c(F)c2F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C14H2F12O2/c15-3-1(4(16)8(20)11(27)7(3)19)13(23,14(24,25)26)2-5(17)9(21)12(28)10(22)6(2)18/h27-28H
InChIKeyWSFHXEDYNPXQBV-UHFFFAOYSA-N
XLogP4.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.14
LogP ≤ 54.99
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-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]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-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol (CID 22003363) is 2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol is Oc1c(F)c(F)c(C(F)(c2c(F)c(F)c(O)c(F)c2F)C(F)(F)F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol?
The InChIKey is WSFHXEDYNPXQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2F12O2/c15-3-1(4(16)8(20)11(27)7(3)19)13(23,14(24,25)26)2-5(17)9(21)12(28)10(22)6(2)18/h27-28H.
What are the key properties of 2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol?
2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol has a molecular weight of 430.14 g/mol, XLogP of 4.99, 2 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-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 22003363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).