5-fluorocyclohexa-2,4-diene-1,1-diol

C6H7FO2 — CID 70369904

IUPAC5-fluorocyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC=C(F)C1
InChIInChI=1S/C6H7FO2/c7-5-2-1-3-6(8,9)4-5/h1-3,8-9H,4H2
InChIKeyAGVPTYHCPOOSSB-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.48
Rot. Bonds

About 5-fluorocyclohexa-2,4-diene-1,1-diol

5-fluorocyclohexa-2,4-diene-1,1-diol (PubChem CID 70369904) has the molecular formula C6H7FO2 and a molecular weight of 130.12 g/mol. Its IUPAC name is 5-fluorocyclohexa-2,4-diene-1,1-diol.

Molecular Properties

Compound Name5-fluorocyclohexa-2,4-diene-1,1-diol
PubChem CID70369904
Molecular FormulaC6H7FO2
Molecular Weight130.12 g/mol
Exact Mass130.04
IUPAC Name5-fluorocyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC=C(F)C1
InChIInChI=1S/C6H7FO2/c7-5-2-1-3-6(8,9)4-5/h1-3,8-9H,4H2
InChIKeyAGVPTYHCPOOSSB-UHFFFAOYSA-N
XLogP0.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluorocyclohexa-2,4-diene-1,1-diol?
The IUPAC name of 5-fluorocyclohexa-2,4-diene-1,1-diol (CID 70369904) is 5-fluorocyclohexa-2,4-diene-1,1-diol.
What is the SMILES notation for 5-fluorocyclohexa-2,4-diene-1,1-diol?
The canonical SMILES for 5-fluorocyclohexa-2,4-diene-1,1-diol is OC1(O)C=CC=C(F)C1.
What is the InChIKey of 5-fluorocyclohexa-2,4-diene-1,1-diol?
The InChIKey is AGVPTYHCPOOSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO2/c7-5-2-1-3-6(8,9)4-5/h1-3,8-9H,4H2.
What are the key properties of 5-fluorocyclohexa-2,4-diene-1,1-diol?
5-fluorocyclohexa-2,4-diene-1,1-diol has a molecular weight of 130.12 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorocyclohexa-2,4-diene-1,1-diol is sourced from PubChem (CID 70369904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).