2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol

C8HF9O — CID 139749075

IUPAC2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol
SMILESOc1c(F)c(F)c(F)c(F)c1C(F)(F)C(F)(F)F
InChIInChI=1S/C8HF9O/c9-2-1(7(13,14)8(15,16)17)6(18)5(12)4(11)3(2)10/h18H
InChIKeyGUYNQBXVTKIQAE-UHFFFAOYSA-N
MW284.08 g/mol
LogP3.60
Rot. Bonds1

About 2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol

2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol (PubChem CID 139749075) has the molecular formula C8HF9O and a molecular weight of 284.08 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol
PubChem CID139749075
Molecular FormulaC8HF9O
Molecular Weight284.08 g/mol
Exact Mass283.99
IUPAC Name2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol
SMILESOc1c(F)c(F)c(F)c(F)c1C(F)(F)C(F)(F)F
InChIInChI=1S/C8HF9O/c9-2-1(7(13,14)8(15,16)17)6(18)5(12)4(11)3(2)10/h18H
InChIKeyGUYNQBXVTKIQAE-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 53.60
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The IUPAC name of 2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol (CID 139749075) is 2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol is Oc1c(F)c(F)c(F)c(F)c1C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The InChIKey is GUYNQBXVTKIQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF9O/c9-2-1(7(13,14)8(15,16)17)6(18)5(12)4(11)3(2)10/h18H.
What are the key properties of 2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol?
2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol has a molecular weight of 284.08 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol is sourced from PubChem (CID 139749075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).