6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol

C8H12F2O2 — CID 130142737

IUPAC6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol
SMILESCC1(C)C=CC(O)C(O)C1(F)F
InChIInChI=1S/C8H12F2O2/c1-7(2)4-3-5(11)6(12)8(7,9)10/h3-6,11-12H,1-2H3
InChIKeyMPIHZNDVKRAWPC-UHFFFAOYSA-N
MW178.18 g/mol
LogP0.94
Rot. Bonds

About 6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol

6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol (PubChem CID 130142737) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol
PubChem CID130142737
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol
SMILESCC1(C)C=CC(O)C(O)C1(F)F
InChIInChI=1S/C8H12F2O2/c1-7(2)4-3-5(11)6(12)8(7,9)10/h3-6,11-12H,1-2H3
InChIKeyMPIHZNDVKRAWPC-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexen-1-ol, 4,4-dimethyl-
CID 543508
6,6-Difluoro-5-methylcyclohex-3-ene-1,2-diol
CID 130146321
(1S,2R,5R)-6,6-difluoro-3,5-dimethylcyclohex-3-ene-1,2-diol
CID 134856246
(1S,2S,5S)-6,6-difluoro-3,5-dimethylcyclohex-3-ene-1,2-diol
CID 134856355
(1S,2R)-3-tert-butylcyclohexa-3,5-diene-1,2-diol
CID 101496075
(1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol
CID 101364298
(1S,2R)-6,6-difluorocyclohex-3-ene-1,2-diol
CID 102030365
(1S)-4,4-dimethylcyclohex-2-en-1-ol
CID 101509954
(1R)-6-methyl-6-(trifluoromethyl)cyclohex-3-en-1-ol
CID 130321753
4-Fluoro-5,5-dimethylcyclohex-2-en-1-ol
CID 141440587
1-(Difluoromethyl)cyclohex-4-ene-1,2,3-triol
CID 142463394
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1,2-diol;(E)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
CID 143625324

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol?
The IUPAC name of 6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol (CID 130142737) is 6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol.
What is the SMILES notation for 6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol?
The canonical SMILES for 6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol is CC1(C)C=CC(O)C(O)C1(F)F.
What is the InChIKey of 6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol?
The InChIKey is MPIHZNDVKRAWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-7(2)4-3-5(11)6(12)8(7,9)10/h3-6,11-12H,1-2H3.
What are the key properties of 6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol?
6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol has a molecular weight of 178.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5,5-dimethylcyclohex-3-ene-1,2-diol is sourced from PubChem (CID 130142737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).