1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol

C6H4F4O2 — CID 22672482

IUPAC1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol
SMILESOC1=C(F)C=C(F)C(O)(F)C1F
InChIInChI=1S/C6H4F4O2/c7-2-1-3(8)6(10,12)5(9)4(2)11/h1,5,11-12H
InChIKeySZEZPYPOANXQRS-UHFFFAOYSA-N
MW184.09 g/mol
LogP1.59
Rot. Bonds

About 1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol

1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol (PubChem CID 22672482) has the molecular formula C6H4F4O2 and a molecular weight of 184.09 g/mol. Its IUPAC name is 1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol
PubChem CID22672482
Molecular FormulaC6H4F4O2
Molecular Weight184.09 g/mol
Exact Mass184.01
IUPAC Name1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol
SMILESOC1=C(F)C=C(F)C(O)(F)C1F
InChIInChI=1S/C6H4F4O2/c7-2-1-3(8)6(10,12)5(9)4(2)11/h1,5,11-12H
InChIKeySZEZPYPOANXQRS-UHFFFAOYSA-N
XLogP1.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol (CID 22672482) is 1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol is OC1=C(F)C=C(F)C(O)(F)C1F.
What is the InChIKey of 1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol?
The InChIKey is SZEZPYPOANXQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4O2/c7-2-1-3(8)6(10,12)5(9)4(2)11/h1,5,11-12H.
What are the key properties of 1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol?
1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol has a molecular weight of 184.09 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6-tetrafluorocyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 22672482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).