1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane

C19H30F2 — CID 22011587

IUPAC1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
SMILESCCCC1CCC(/C=C/C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C19H30F2/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)14-19(20)21/h8-9,14-18H,2-7,10-13H2,1H3/b9-8+
InChIKeyWNCIJDWJOAYIOA-CMDGGOBGSA-N
MW296.45 g/mol
LogP6.74
Rot. Bonds5

About 1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane

1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane (PubChem CID 22011587) has the molecular formula C19H30F2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
PubChem CID22011587
Molecular FormulaC19H30F2
Molecular Weight296.45 g/mol
Exact Mass296.23
IUPAC Name1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
SMILESCCCC1CCC(/C=C/C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C19H30F2/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)14-19(20)21/h8-9,14-18H,2-7,10-13H2,1H3/b9-8+
InChIKeyWNCIJDWJOAYIOA-CMDGGOBGSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 56.74
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

2-fluoro-3-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]prop-2-enenitrile
CID 54223857
1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane
CID 58526771
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
2-[2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599508
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane
CID 20599558
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]butyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 20599965
1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 138493538
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
3-(4-propylcyclohexyl)prop-2-enenitrile
CID 54536266
3-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]prop-2-enenitrile
CID 67589827
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599483
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599496

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane (CID 22011587) is 1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane is CCCC1CCC(/C=C/C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane?
The InChIKey is WNCIJDWJOAYIOA-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H30F2/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)14-19(20)21/h8-9,14-18H,2-7,10-13H2,1H3/b9-8+.
What are the key properties of 1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane?
1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane has a molecular weight of 296.45 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane is sourced from PubChem (CID 22011587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).