1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane

C10H16F2 — CID 129127578

IUPAC1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane
SMILESC=CC(F)(F)C1CCC(C)CC1
InChIInChI=1S/C10H16F2/c1-3-10(11,12)9-6-4-8(2)5-7-9/h3,8-9H,1,4-7H2,2H3
InChIKeyVEBNFYXYZXKGES-UHFFFAOYSA-N
MW174.23 g/mol
LogP3.63
Rot. Bonds2

About 1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane

1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane (PubChem CID 129127578) has the molecular formula C10H16F2 and a molecular weight of 174.23 g/mol. Its IUPAC name is 1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane
PubChem CID129127578
Molecular FormulaC10H16F2
Molecular Weight174.23 g/mol
Exact Mass174.12
IUPAC Name1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane
SMILESC=CC(F)(F)C1CCC(C)CC1
InChIInChI=1S/C10H16F2/c1-3-10(11,12)9-6-4-8(2)5-7-9/h3,8-9H,1,4-7H2,2H3
InChIKeyVEBNFYXYZXKGES-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
CID 20583760
1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane
CID 140689381
1-methyl-4-(trifluoromethyl)cyclohexane;propane
CID 162029179
3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530936
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
N-ethenyl-4-methylcyclohexan-1-amine
CID 58476110
5-[1,1-bis(4,5-dimethylcycloheptyl)-2,2,2-trifluoroethyl]-1,2-dimethylcycloheptane
CID 70974200
ethane;ethene;1-ethenyl-4-methylcyclohexane
CID 142074855
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane?
The IUPAC name of 1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane (CID 129127578) is 1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane?
The canonical SMILES for 1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane is C=CC(F)(F)C1CCC(C)CC1.
What is the InChIKey of 1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane?
The InChIKey is VEBNFYXYZXKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2/c1-3-10(11,12)9-6-4-8(2)5-7-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane?
1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane has a molecular weight of 174.23 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane is sourced from PubChem (CID 129127578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).