2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol

C12H6F6O3 — CID 174546410

IUPAC2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol
SMILESOc1c(F)c(F)c(O)c(F)c1F.Oc1cccc(F)c1F
InChIInChI=1S/C6H2F4O2.C6H4F2O/c7-1-2(8)6(12)4(10)3(9)5(1)11;7-4-2-1-3-5(9)6(4)8/h11-12H;1-3,9H
InChIKeyCNXLYJBQFKTYFG-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.32
Rot. Bonds

About 2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol

2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol (PubChem CID 174546410) has the molecular formula C12H6F6O3 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol.

Molecular Properties

Compound Name2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol
PubChem CID174546410
Molecular FormulaC12H6F6O3
Molecular Weight312.17 g/mol
Exact Mass312.02
IUPAC Name2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol
SMILESOc1c(F)c(F)c(O)c(F)c1F.Oc1cccc(F)c1F
InChIInChI=1S/C6H2F4O2.C6H4F2O/c7-1-2(8)6(12)4(10)3(9)5(1)11;7-4-2-1-3-5(9)6(4)8/h11-12H;1-3,9H
InChIKeyCNXLYJBQFKTYFG-UHFFFAOYSA-N
XLogP3.32
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol?
The IUPAC name of 2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol (CID 174546410) is 2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol.
What is the SMILES notation for 2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol?
The canonical SMILES for 2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol is Oc1c(F)c(F)c(O)c(F)c1F.Oc1cccc(F)c1F.
What is the InChIKey of 2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol?
The InChIKey is CNXLYJBQFKTYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4O2.C6H4F2O/c7-1-2(8)6(12)4(10)3(9)5(1)11;7-4-2-1-3-5(9)6(4)8/h11-12H;1-3,9H.
What are the key properties of 2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol?
2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol has a molecular weight of 312.17 g/mol, XLogP of 3.32, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol is sourced from PubChem (CID 174546410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).