3,6-difluorocyclohexa-2,6-diene-1,2-diol

C6H6F2O2 — CID 19380906

IUPAC3,6-difluorocyclohexa-2,6-diene-1,2-diol
SMILESOC1=C(F)CCC(F)=C1O
InChIInChI=1S/C6H6F2O2/c7-3-1-2-4(8)6(10)5(3)9/h9-10H,1-2H2
InChIKeyYAILYITZOJGAHC-UHFFFAOYSA-N
MW148.11 g/mol
LogP2.26
Rot. Bonds

About 3,6-difluorocyclohexa-2,6-diene-1,2-diol

3,6-difluorocyclohexa-2,6-diene-1,2-diol (PubChem CID 19380906) has the molecular formula C6H6F2O2 and a molecular weight of 148.11 g/mol. Its IUPAC name is 3,6-difluorocyclohexa-2,6-diene-1,2-diol.

Molecular Properties

Compound Name3,6-difluorocyclohexa-2,6-diene-1,2-diol
PubChem CID19380906
Molecular FormulaC6H6F2O2
Molecular Weight148.11 g/mol
Exact Mass148.03
IUPAC Name3,6-difluorocyclohexa-2,6-diene-1,2-diol
SMILESOC1=C(F)CCC(F)=C1O
InChIInChI=1S/C6H6F2O2/c7-3-1-2-4(8)6(10)5(3)9/h9-10H,1-2H2
InChIKeyYAILYITZOJGAHC-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-difluorocyclohexa-2,6-diene-1,2-diol?
The IUPAC name of 3,6-difluorocyclohexa-2,6-diene-1,2-diol (CID 19380906) is 3,6-difluorocyclohexa-2,6-diene-1,2-diol.
What is the SMILES notation for 3,6-difluorocyclohexa-2,6-diene-1,2-diol?
The canonical SMILES for 3,6-difluorocyclohexa-2,6-diene-1,2-diol is OC1=C(F)CCC(F)=C1O.
What is the InChIKey of 3,6-difluorocyclohexa-2,6-diene-1,2-diol?
The InChIKey is YAILYITZOJGAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O2/c7-3-1-2-4(8)6(10)5(3)9/h9-10H,1-2H2.
What are the key properties of 3,6-difluorocyclohexa-2,6-diene-1,2-diol?
3,6-difluorocyclohexa-2,6-diene-1,2-diol has a molecular weight of 148.11 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluorocyclohexa-2,6-diene-1,2-diol is sourced from PubChem (CID 19380906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).