1-(2,2-difluoroethenyl)-4-propylcyclohexane

C11H18F2 — CID 19961267

IUPAC1-(2,2-difluoroethenyl)-4-propylcyclohexane
SMILESCCCC1CCC(C=C(F)F)CC1
InChIInChI=1S/C11H18F2/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h8-10H,2-7H2,1H3
InChIKeyOHINIETVYXLTEQ-UHFFFAOYSA-N
MW188.26 g/mol
LogP4.37
Rot. Bonds3

About 1-(2,2-difluoroethenyl)-4-propylcyclohexane

1-(2,2-difluoroethenyl)-4-propylcyclohexane (PubChem CID 19961267) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-propylcyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-propylcyclohexane
PubChem CID19961267
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name1-(2,2-difluoroethenyl)-4-propylcyclohexane
SMILESCCCC1CCC(C=C(F)F)CC1
InChIInChI=1S/C11H18F2/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h8-10H,2-7H2,1H3
InChIKeyOHINIETVYXLTEQ-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-propylcyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-propylcyclohexane (CID 19961267) is 1-(2,2-difluoroethenyl)-4-propylcyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-propylcyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-propylcyclohexane is CCCC1CCC(C=C(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-propylcyclohexane?
The InChIKey is OHINIETVYXLTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h8-10H,2-7H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-propylcyclohexane?
1-(2,2-difluoroethenyl)-4-propylcyclohexane has a molecular weight of 188.26 g/mol, XLogP of 4.37, 3 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-propylcyclohexane is sourced from PubChem (CID 19961267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).