1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane

C16H26F2 — CID 139748793

IUPAC1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane
SMILESC=CC1CCC(C2CCC(CC(F)F)CC2)CC1
InChIInChI=1S/C16H26F2/c1-2-12-3-7-14(8-4-12)15-9-5-13(6-10-15)11-16(17)18/h2,12-16H,1,3-11H2
InChIKeyZPMZBTCCUMGNJB-UHFFFAOYSA-N
MW256.38 g/mol
LogP5.44
Rot. Bonds4

About 1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane

1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane (PubChem CID 139748793) has the molecular formula C16H26F2 and a molecular weight of 256.38 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane
PubChem CID139748793
Molecular FormulaC16H26F2
Molecular Weight256.38 g/mol
Exact Mass256.20
IUPAC Name1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane
SMILESC=CC1CCC(C2CCC(CC(F)F)CC2)CC1
InChIInChI=1S/C16H26F2/c1-2-12-3-7-14(8-4-12)15-9-5-13(6-10-15)11-16(17)18/h2,12-16H,1,3-11H2
InChIKeyZPMZBTCCUMGNJB-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.38
LogP ≤ 55.44
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-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659044
1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 144859072
4-(2,2-difluoroethyl)cyclohexan-1-amine
CID 84716905
5-(4-ethenylcyclohexyl)-2-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]-1,3-dioxane
CID 88978860
1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
CID 91361324
4-(4-ethenylcyclohexyl)cyclohexan-1-ol
CID 129130656
2-ethenyl-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139847576
1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18724330
1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane
CID 139825193
1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 56624136
(4aR,6R,8aR)-2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20807970
2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383771

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane (CID 139748793) is 1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane is C=CC1CCC(C2CCC(CC(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane?
The InChIKey is ZPMZBTCCUMGNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2/c1-2-12-3-7-14(8-4-12)15-9-5-13(6-10-15)11-16(17)18/h2,12-16H,1,3-11H2.
What are the key properties of 1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane?
1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane has a molecular weight of 256.38 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane is sourced from PubChem (CID 139748793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).