5,6-difluorocyclohexa-1,5-dien-1-ol

C6H6F2O — CID 89045871

IUPAC5,6-difluorocyclohexa-1,5-dien-1-ol
SMILESOC1=CCCC(F)=C1F
InChIInChI=1S/C6H6F2O/c7-4-2-1-3-5(9)6(4)8/h3,9H,1-2H2
InChIKeyNIQLQZCGROHCIX-UHFFFAOYSA-N
MW132.11 g/mol
LogP2.37
Rot. Bonds

About 5,6-difluorocyclohexa-1,5-dien-1-ol

5,6-difluorocyclohexa-1,5-dien-1-ol (PubChem CID 89045871) has the molecular formula C6H6F2O and a molecular weight of 132.11 g/mol. Its IUPAC name is 5,6-difluorocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5,6-difluorocyclohexa-1,5-dien-1-ol
PubChem CID89045871
Molecular FormulaC6H6F2O
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name5,6-difluorocyclohexa-1,5-dien-1-ol
SMILESOC1=CCCC(F)=C1F
InChIInChI=1S/C6H6F2O/c7-4-2-1-3-5(9)6(4)8/h3,9H,1-2H2
InChIKeyNIQLQZCGROHCIX-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,6-difluorocyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Difluorocyclohexa-1,5-dien-1-ol
CID 142307514
3,6-Difluorocyclohexa-2,6-diene-1,2-diol
CID 19380906
1,3,4,6-Tetrafluorocyclohexa-2,4-dien-1-ol
CID 19760670
1,6-Difluorocyclohexa-2,4-dien-1-ol
CID 22027063
1,3,6-Trifluorocyclohexa-2,4-dien-1-ol
CID 67532845
5-Fluorocyclohexa-1,5-dien-1-ol
CID 68353020
2,4-Difluorocyclohexa-1,5-diene-1,4-diol
CID 68897124
3,3,4,5,6-Pentafluorocyclohexa-1,5-dien-1-ol
CID 88335738
3-Fluorocyclohexa-1,5-dien-1-ol
CID 89100848
2,3,4,5-Tetrafluorocyclohexa-1,5-diene-1,4-diol
CID 89420440
1,3,5-Trifluorocyclohexa-2,4-dien-1-ol
CID 89765023
4-Fluorocyclohexa-1,5-dien-1-ol
CID 118312270

Frequently Asked Questions

What is the IUPAC name of 5,6-difluorocyclohexa-1,5-dien-1-ol?
The IUPAC name of 5,6-difluorocyclohexa-1,5-dien-1-ol (CID 89045871) is 5,6-difluorocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5,6-difluorocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5,6-difluorocyclohexa-1,5-dien-1-ol is OC1=CCCC(F)=C1F.
What is the InChIKey of 5,6-difluorocyclohexa-1,5-dien-1-ol?
The InChIKey is NIQLQZCGROHCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O/c7-4-2-1-3-5(9)6(4)8/h3,9H,1-2H2.
What are the key properties of 5,6-difluorocyclohexa-1,5-dien-1-ol?
5,6-difluorocyclohexa-1,5-dien-1-ol has a molecular weight of 132.11 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluorocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89045871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).