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

C12HF9O — CID 2783336

IUPAC2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol
SMILESOc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12HF9O/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H
InChIKeyMLXJPZBMOLLESC-UHFFFAOYSA-N
MW332.12 g/mol
LogP4.31
Rot. Bonds1

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

2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol (PubChem CID 2783336) has the molecular formula C12HF9O and a molecular weight of 332.12 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol
PubChem CID2783336
Molecular FormulaC12HF9O
Molecular Weight332.12 g/mol
Exact Mass331.99
IUPAC Name2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol
SMILESOc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12HF9O/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H
InChIKeyMLXJPZBMOLLESC-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol (CID 2783336) is 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol is Oc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol?
The InChIKey is MLXJPZBMOLLESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF9O/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H.
What are the key properties of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol?
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol has a molecular weight of 332.12 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol is sourced from PubChem (CID 2783336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).