2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C21H34F2 — CID 22384105

IUPAC2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC(C2CCC3CC(C=C(F)F)CCC3C2)CC1
InChIInChI=1S/C21H34F2/c1-2-3-15-4-7-17(8-5-15)19-11-10-18-12-16(13-21(22)23)6-9-20(18)14-19/h13,15-20H,2-12,14H2,1H3
InChIKeyJDVXMJLQWGMTBF-UHFFFAOYSA-N
MW324.50 g/mol
LogP7.21
Rot. Bonds4

About 2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 22384105) has the molecular formula C21H34F2 and a molecular weight of 324.50 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID22384105
Molecular FormulaC21H34F2
Molecular Weight324.50 g/mol
Exact Mass324.26
IUPAC Name2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC(C2CCC3CC(C=C(F)F)CCC3C2)CC1
InChIInChI=1S/C21H34F2/c1-2-3-15-4-7-17(8-5-15)19-11-10-18-12-16(13-21(22)23)6-9-20(18)14-19/h13,15-20H,2-12,14H2,1H3
InChIKeyJDVXMJLQWGMTBF-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.50
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 22384105) is 2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCC1CCC(C2CCC3CC(C=C(F)F)CCC3C2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is JDVXMJLQWGMTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34F2/c1-2-3-15-4-7-17(8-5-15)19-11-10-18-12-16(13-21(22)23)6-9-20(18)14-19/h13,15-20H,2-12,14H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 324.50 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 22384105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).