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

C7HF7O — CID 90973259

IUPAC2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
SMILESOc1c(F)c(F)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C7HF7O/c8-2-1(7(12,13)14)6(15)5(11)4(10)3(2)9/h15H
InChIKeyHKJVDVPAFPFLIV-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.97
Rot. Bonds

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

2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol (PubChem CID 90973259) has the molecular formula C7HF7O and a molecular weight of 234.07 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
PubChem CID90973259
Molecular FormulaC7HF7O
Molecular Weight234.07 g/mol
Exact Mass233.99
IUPAC Name2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
SMILESOc1c(F)c(F)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C7HF7O/c8-2-1(7(12,13)14)6(15)5(11)4(10)3(2)9/h15H
InChIKeyHKJVDVPAFPFLIV-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.97
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 2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol?
The IUPAC name of 2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol (CID 90973259) is 2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol is Oc1c(F)c(F)c(F)c(F)c1C(F)(F)F.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol?
The InChIKey is HKJVDVPAFPFLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF7O/c8-2-1(7(12,13)14)6(15)5(11)4(10)3(2)9/h15H.
What are the key properties of 2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol?
2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol has a molecular weight of 234.07 g/mol, XLogP of 2.97, 0 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-(trifluoromethyl)phenol is sourced from PubChem (CID 90973259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).