3,3-difluoro-6-(methoxymethyl)cyclohexene

C8H12F2O — CID 123792514

IUPAC3,3-difluoro-6-(methoxymethyl)cyclohexene
SMILESCOCC1C=CC(F)(F)CC1
InChIInChI=1S/C8H12F2O/c1-11-6-7-2-4-8(9,10)5-3-7/h2,4,7H,3,5-6H2,1H3
InChIKeySFBDGPAXQHJRMC-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.23
Rot. Bonds2

About 3,3-difluoro-6-(methoxymethyl)cyclohexene

3,3-difluoro-6-(methoxymethyl)cyclohexene (PubChem CID 123792514) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 3,3-difluoro-6-(methoxymethyl)cyclohexene.

Molecular Properties

Compound Name3,3-difluoro-6-(methoxymethyl)cyclohexene
PubChem CID123792514
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3,3-difluoro-6-(methoxymethyl)cyclohexene
SMILESCOCC1C=CC(F)(F)CC1
InChIInChI=1S/C8H12F2O/c1-11-6-7-2-4-8(9,10)5-3-7/h2,4,7H,3,5-6H2,1H3
InChIKeySFBDGPAXQHJRMC-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-But-2-ynoxy-2,2,2-trifluoroethyl)cyclohexene
CID 86077598
3-(Methoxymethyl)cyclohex-1-ene
CID 12450318
1-Methoxy-4-(trifluoromethyl)cyclohexene
CID 60006520
2-(4-Methoxybutyl)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177613
2-Fluoro-5-(3-methoxypropyl)cyclohexa-1,3-diene
CID 68177839
(E)-2,2-difluoro-9-methoxy-8,8-dimethylnon-3-ene
CID 88054586
3-Methyl-7-(trifluoromethoxy)hept-1-ene
CID 89263479
(E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene
CID 118527056
[4-(Trifluoromethyl)cyclohex-2-en-1-yl]methanol
CID 118889335
2,2-Difluoro-9-methoxy-8,8-dimethylnon-3-ene
CID 123484096
1-Hexoxy-6-(trifluoromethyl)cyclohexene
CID 123526153
(Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene
CID 139376314

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-(methoxymethyl)cyclohexene?
The IUPAC name of 3,3-difluoro-6-(methoxymethyl)cyclohexene (CID 123792514) is 3,3-difluoro-6-(methoxymethyl)cyclohexene.
What is the SMILES notation for 3,3-difluoro-6-(methoxymethyl)cyclohexene?
The canonical SMILES for 3,3-difluoro-6-(methoxymethyl)cyclohexene is COCC1C=CC(F)(F)CC1.
What is the InChIKey of 3,3-difluoro-6-(methoxymethyl)cyclohexene?
The InChIKey is SFBDGPAXQHJRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-11-6-7-2-4-8(9,10)5-3-7/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 3,3-difluoro-6-(methoxymethyl)cyclohexene?
3,3-difluoro-6-(methoxymethyl)cyclohexene has a molecular weight of 162.18 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(methoxymethyl)cyclohexene is sourced from PubChem (CID 123792514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).