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

C7H10F2O2 — CID 130146321

IUPAC6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol
SMILESCC1C=CC(O)C(O)C1(F)F
InChIInChI=1S/C7H10F2O2/c1-4-2-3-5(10)6(11)7(4,8)9/h2-6,10-11H,1H3
InChIKeyBYNCGSLJRSKAHE-UHFFFAOYSA-N
MW164.15 g/mol
LogP0.55
Rot. Bonds

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

6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol (PubChem CID 130146321) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol
PubChem CID130146321
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol
SMILESCC1C=CC(O)C(O)C1(F)F
InChIInChI=1S/C7H10F2O2/c1-4-2-3-5(10)6(11)7(4,8)9/h2-6,10-11H,1H3
InChIKeyBYNCGSLJRSKAHE-UHFFFAOYSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 50.55
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

(1~{r},2~{r},6~{r})-6-(Hydroxymethyl)cyclohex-3-Ene-1,2-Diol
CID 123132906
(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,2S)-6,6-difluorocyclohex-3-ene-1,2-diol
CID 101364298
(1S,2R)-6,6-difluorocyclohex-3-ene-1,2-diol
CID 102030365
1-(Difluoromethyl)cyclohex-4-ene-1,2-diol
CID 89172023
6-Fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol
CID 118312724
4-(Trifluoromethyl)cyclohex-2-en-1-ol
CID 138465226
1-(Fluoromethyl)cyclohex-4-ene-1,2,3-triol
CID 142463393
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
1-(Trifluoromethyl)cyclohex-2-ene-1,4-diol
CID 144996526

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol?
The IUPAC name of 6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol (CID 130146321) is 6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol.
What is the SMILES notation for 6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol?
The canonical SMILES for 6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol is CC1C=CC(O)C(O)C1(F)F.
What is the InChIKey of 6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol?
The InChIKey is BYNCGSLJRSKAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-4-2-3-5(10)6(11)7(4,8)9/h2-6,10-11H,1H3.
What are the key properties of 6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol?
6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol has a molecular weight of 164.15 g/mol, XLogP of 0.55, 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-methylcyclohex-3-ene-1,2-diol is sourced from PubChem (CID 130146321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).