1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane

C16H23F3 — CID 139825193

IUPAC1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(C(F)=C(F)F)CC2)CC1
InChIInChI=1S/C16H23F3/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(17)16(18)19/h2,11-14H,1,3-10H2
InChIKeyUOUBCNUXLSEQQB-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.86
Rot. Bonds3

About 1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane

1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane (PubChem CID 139825193) has the molecular formula C16H23F3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane
PubChem CID139825193
Molecular FormulaC16H23F3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(C(F)=C(F)F)CC2)CC1
InChIInChI=1S/C16H23F3/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(17)16(18)19/h2,11-14H,1,3-10H2
InChIKeyUOUBCNUXLSEQQB-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.86
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

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
4-ethenylcyclohexane-1-carboxylic acid
CID 18538169
ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate
CID 89302696
1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 139748793
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-(4-ethenylcyclohexyl)-1,3-dioxane
CID 20599587
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
CID 89059440
2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene
CID 139861561
5-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,3-difluoro-2-(1,2,2-trifluoroethenoxy)benzene
CID 162587787
1-ethenyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
CID 54410794
1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane
CID 19961262
9-(4-ethenylcyclohexyl)-3,4-difluorospiro[5.5]undecane
CID 89276700

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane (CID 139825193) is 1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane is C=CC1CCC(C2CCC(C(F)=C(F)F)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane?
The InChIKey is UOUBCNUXLSEQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(17)16(18)19/h2,11-14H,1,3-10H2.
What are the key properties of 1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane?
1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane has a molecular weight of 272.35 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 139825193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).