3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol

C11H18F3NO — CID 82749780

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCC2CCCCC21)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c12-11(13,14)10(16)7-15-6-5-8-3-1-2-4-9(8)15/h8-10,16H,1-7H2
InChIKeyHYXKNJHZBZEFQB-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.17
Rot. Bonds2

About 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 82749780) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID82749780
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCC2CCCCC21)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c12-11(13,14)10(16)7-15-6-5-8-3-1-2-4-9(8)15/h8-10,16H,1-7H2
InChIKeyHYXKNJHZBZEFQB-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol 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

3-[(4-Ethylcyclohexyl)-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63899390
1,1,1-Trifluoro-3-[methyl-(2-methylcyclohexyl)amino]propan-2-ol
CID 63899395
3-(2-Cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901034
3-(2,3,4,4a,5,6,7,7a-Octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 65320279
3-(4-Amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 104460524
2-(4,4-difluorooctahydro-2H-isoindol-2-yl)ethan-1-ol
CID 121215379
(3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol
CID 126793935
1-(1,3,3a,4,5,6,7,7a-Octahydroisoindol-2-yl)-3-fluoropropan-2-ol
CID 127009262
2-[(3aS,7aR)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]ethanol
CID 129504091
2-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]ethanol
CID 129504092
2-[(3aR,7aR)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]ethanol
CID 129504093
2-[(3aS,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]ethanol
CID 129504094

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol (CID 82749780) is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol is OC(CN1CCC2CCCCC21)C(F)(F)F.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is HYXKNJHZBZEFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)10(16)7-15-6-5-8-3-1-2-4-9(8)15/h8-10,16H,1-7H2.
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 237.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 82749780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).