2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene

C15H20F6 — CID 20759709

IUPAC2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESCC(CC1CCC2CC=CCC2C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H20F6/c1-13(14(16,17)18,15(19,20)21)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-3,10-12H,4-9H2,1H3
InChIKeyUAMQHVINJQFMQG-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.89
Rot. Bonds2

About 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene

2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene (PubChem CID 20759709) has the molecular formula C15H20F6 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene.

Molecular Properties

Compound Name2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene
PubChem CID20759709
Molecular FormulaC15H20F6
Molecular Weight314.31 g/mol
Exact Mass314.15
IUPAC Name2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESCC(CC1CCC2CC=CCC2C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H20F6/c1-13(14(16,17)18,15(19,20)21)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-3,10-12H,4-9H2,1H3
InChIKeyUAMQHVINJQFMQG-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)ethanethiol
CID 145186058
1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine
CID 167252807
2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 20770026
4-(4-propylcyclohexyl)cyclohexene
CID 18964431
N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine
CID 176921915
1-(2,2,3,3,3-pentafluoropropyl)-4-(4-propylcyclohexyl)cyclohexane
CID 23236775
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol
CID 19985530
1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane
CID 138719626
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropane-1,2-diol
CID 175483621
1-(2,2-dimethylpropyl)-3-methylcyclopentane
CID 58530421
2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
CID 118360310
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805

Frequently Asked Questions

What is the IUPAC name of 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The IUPAC name of 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene (CID 20759709) is 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene.
What is the SMILES notation for 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The canonical SMILES for 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene is CC(CC1CCC2CC=CCC2C1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The InChIKey is UAMQHVINJQFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6/c1-13(14(16,17)18,15(19,20)21)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene has a molecular weight of 314.31 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene is sourced from PubChem (CID 20759709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).