2,6-difluorocyclohexa-1,5-dien-1-ol

C6H6F2O — CID 142307514

IUPAC2,6-difluorocyclohexa-1,5-dien-1-ol
SMILESOC1=C(F)CCC=C1F
InChIInChI=1S/C6H6F2O/c7-4-2-1-3-5(8)6(4)9/h2,9H,1,3H2
InChIKeyXYRPHRLGHHQZGS-UHFFFAOYSA-N
MW132.11 g/mol
LogP2.37
Rot. Bonds

About 2,6-difluorocyclohexa-1,5-dien-1-ol

2,6-difluorocyclohexa-1,5-dien-1-ol (PubChem CID 142307514) has the molecular formula C6H6F2O and a molecular weight of 132.11 g/mol. Its IUPAC name is 2,6-difluorocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2,6-difluorocyclohexa-1,5-dien-1-ol
PubChem CID142307514
Molecular FormulaC6H6F2O
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name2,6-difluorocyclohexa-1,5-dien-1-ol
SMILESOC1=C(F)CCC=C1F
InChIInChI=1S/C6H6F2O/c7-4-2-1-3-5(8)6(4)9/h2,9H,1,3H2
InChIKeyXYRPHRLGHHQZGS-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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluorocyclohexa-1,5-dien-1-ol?
The IUPAC name of 2,6-difluorocyclohexa-1,5-dien-1-ol (CID 142307514) is 2,6-difluorocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2,6-difluorocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2,6-difluorocyclohexa-1,5-dien-1-ol is OC1=C(F)CCC=C1F.
What is the InChIKey of 2,6-difluorocyclohexa-1,5-dien-1-ol?
The InChIKey is XYRPHRLGHHQZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O/c7-4-2-1-3-5(8)6(4)9/h2,9H,1,3H2.
What are the key properties of 2,6-difluorocyclohexa-1,5-dien-1-ol?
2,6-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 2,6-difluorocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 142307514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).