2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol

C12HF9O2 — CID 12558023

IUPAC2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol
SMILESOc1c(F)c(F)c(F)c(Oc2c(F)c(F)c(F)c(F)c2F)c1F
InChIInChI=1S/C12HF9O2/c13-1-2(14)6(18)11(7(19)3(1)15)23-12-8(20)4(16)5(17)10(22)9(12)21/h22H
InChIKeyNWZUHJOSHTXLHY-UHFFFAOYSA-N
MW348.12 g/mol
LogP4.44
Rot. Bonds2

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

2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol (PubChem CID 12558023) has the molecular formula C12HF9O2 and a molecular weight of 348.12 g/mol. Its IUPAC name is 2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol.

Molecular Properties

Compound Name2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol
PubChem CID12558023
Molecular FormulaC12HF9O2
Molecular Weight348.12 g/mol
Exact Mass347.98
IUPAC Name2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol
SMILESOc1c(F)c(F)c(F)c(Oc2c(F)c(F)c(F)c(F)c2F)c1F
InChIInChI=1S/C12HF9O2/c13-1-2(14)6(18)11(7(19)3(1)15)23-12-8(20)4(16)5(17)10(22)9(12)21/h22H
InChIKeyNWZUHJOSHTXLHY-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol?
The IUPAC name of 2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol (CID 12558023) is 2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol.
What is the SMILES notation for 2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol?
The canonical SMILES for 2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol is Oc1c(F)c(F)c(F)c(Oc2c(F)c(F)c(F)c(F)c2F)c1F.
What is the InChIKey of 2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol?
The InChIKey is NWZUHJOSHTXLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF9O2/c13-1-2(14)6(18)11(7(19)3(1)15)23-12-8(20)4(16)5(17)10(22)9(12)21/h22H.
What are the key properties of 2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol?
2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol has a molecular weight of 348.12 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenoxy)phenol is sourced from PubChem (CID 12558023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).