2,3,4,5,6-pentafluorophenol

C6HF5O — CID 13041

IUPAC2,3,4,5,6-pentafluorophenol
SMILESOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKeyXBNGYFFABRKICK-UHFFFAOYSA-N
MW184.06 g/mol
LogP2.09
Rot. Bonds

About 2,3,4,5,6-pentafluorophenol

2,3,4,5,6-pentafluorophenol (PubChem CID 13041) has the molecular formula C6HF5O and a molecular weight of 184.06 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluorophenol.

Molecular Properties

Compound Name2,3,4,5,6-pentafluorophenol
PubChem CID13041
Molecular FormulaC6HF5O
Molecular Weight184.06 g/mol
Exact Mass183.99
IUPAC Name2,3,4,5,6-pentafluorophenol
SMILESOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKeyXBNGYFFABRKICK-UHFFFAOYSA-N
XLogP2.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.06
LogP ≤ 52.09
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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Related Compounds

3,5-Difluorophenol
CID 75928
2,6-Difluorophenol
CID 94392
3,4,5-Trifluorophenol
CID 2777943
2,3,5,6-Tetrafluorophenol
CID 69858
2,4,6-Trifluorophenol
CID 519974
2,3,5,6-Tetrafluorohydroquinone
CID 69870
2,3,4-Trifluorophenol
CID 123174
2,4,5-Trifluorophenol
CID 123153
2,3,6-Trifluorophenol
CID 517988
2,3,5-Trifluorophenol
CID 2733311
2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol
CID 2776810
Tetrafluorobenzene-1,3-diol
CID 602725

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluorophenol?
The IUPAC name of 2,3,4,5,6-pentafluorophenol (CID 13041) is 2,3,4,5,6-pentafluorophenol.
What is the SMILES notation for 2,3,4,5,6-pentafluorophenol?
The canonical SMILES for 2,3,4,5,6-pentafluorophenol is Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluorophenol?
The InChIKey is XBNGYFFABRKICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H.
What are the key properties of 2,3,4,5,6-pentafluorophenol?
2,3,4,5,6-pentafluorophenol has a molecular weight of 184.06 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluorophenol is sourced from PubChem (CID 13041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).