2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene

C24H33F3O — CID 139866098

IUPAC2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCC2CC(C3CCc4ccccc4C3OC(F)(F)F)CCC2C1
InChIInChI=1S/C24H33F3O/c1-2-5-16-8-9-19-15-20(11-10-18(19)14-16)22-13-12-17-6-3-4-7-21(17)23(22)28-24(25,26)27/h3-4,6-7,16,18-20,22-23H,2,5,8-15H2,1H3
InChIKeyYVEKGKVKYQFSOH-UHFFFAOYSA-N
MW394.52 g/mol
LogP7.46
Rot. Bonds4

About 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene

2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139866098) has the molecular formula C24H33F3O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID139866098
Molecular FormulaC24H33F3O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCC2CC(C3CCc4ccccc4C3OC(F)(F)F)CCC2C1
InChIInChI=1S/C24H33F3O/c1-2-5-16-8-9-19-15-20(11-10-18(19)14-16)22-13-12-17-6-3-4-7-21(17)23(22)28-24(25,26)27/h3-4,6-7,16,18-20,22-23H,2,5,8-15H2,1H3
InChIKeyYVEKGKVKYQFSOH-UHFFFAOYSA-N
XLogP7.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

2-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139865145
5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139865040
2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22352805
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
N-(4-propylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 43081045
(1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 144704080
3-propylbicyclo[4.2.0]octane
CID 145186098
2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
2-[2-(4-propylcyclohexyl)ethyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837145
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
6-(difluoromethoxy)-2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865265
2-ethyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 59445158

Frequently Asked Questions

What is the IUPAC name of 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene (CID 139866098) is 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene is CCCC1CCC2CC(C3CCc4ccccc4C3OC(F)(F)F)CCC2C1.
What is the InChIKey of 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YVEKGKVKYQFSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3O/c1-2-5-16-8-9-19-15-20(11-10-18(19)14-16)22-13-12-17-6-3-4-7-21(17)23(22)28-24(25,26)27/h3-4,6-7,16,18-20,22-23H,2,5,8-15H2,1H3.
What are the key properties of 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 394.52 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139866098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).