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

C20H33F3O — CID 22352805

IUPAC2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC(C2CCC3CC(OC(F)(F)F)CCC3C2)CC1
InChIInChI=1S/C20H33F3O/c1-2-3-14-4-6-15(7-5-14)16-8-9-18-13-19(24-20(21,22)23)11-10-17(18)12-16/h14-19H,2-13H2,1H3
InChIKeyHUFCTCLKKAKXSV-UHFFFAOYSA-N
MW346.48 g/mol
LogP6.71
Rot. Bonds4

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

2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 22352805) has the molecular formula C20H33F3O and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID22352805
Molecular FormulaC20H33F3O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC(C2CCC3CC(OC(F)(F)F)CCC3C2)CC1
InChIInChI=1S/C20H33F3O/c1-2-3-14-4-6-15(7-5-14)16-8-9-18-13-19(24-20(21,22)23)11-10-17(18)12-16/h14-19H,2-13H2,1H3
InChIKeyHUFCTCLKKAKXSV-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
3-propylbicyclo[4.2.0]octane
CID 145186098
6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 13039671
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805
1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 15376156
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
bis[4-(4-propylcyclohexyl)cyclohexyl] carbonate
CID 70479427
2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane
CID 58555466

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 22352805) is 2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCC1CCC(C2CCC3CC(OC(F)(F)F)CCC3C2)CC1.
What is the InChIKey of 2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is HUFCTCLKKAKXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33F3O/c1-2-3-14-4-6-15(7-5-14)16-8-9-18-13-19(24-20(21,22)23)11-10-17(18)12-16/h14-19H,2-13H2,1H3.
What are the key properties of 2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 346.48 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 22352805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).