5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol

C8H6F2O2 — CID 57222719

IUPAC5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol
SMILESOc1ccc(O)c(=CF)c1=CF
InChIInChI=1S/C8H6F2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-4,11-12H
InChIKeyRDFAWCDUZUSVKI-UHFFFAOYSA-N
MW172.13 g/mol
LogP0.51
Rot. Bonds

About 5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol

5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol (PubChem CID 57222719) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol.

Molecular Properties

Compound Name5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol
PubChem CID57222719
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Name5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol
SMILESOc1ccc(O)c(=CF)c1=CF
InChIInChI=1S/C8H6F2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-4,11-12H
InChIKeyRDFAWCDUZUSVKI-UHFFFAOYSA-N
XLogP0.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol?
The IUPAC name of 5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol (CID 57222719) is 5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol.
What is the SMILES notation for 5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol?
The canonical SMILES for 5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol is Oc1ccc(O)c(=CF)c1=CF.
What is the InChIKey of 5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol?
The InChIKey is RDFAWCDUZUSVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-4,11-12H.
What are the key properties of 5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol?
5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol has a molecular weight of 172.13 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol is sourced from PubChem (CID 57222719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).