3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

C10H15F3N2O2 — CID 115621973

IUPAC3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)5-14-9(17)15-6-1-2-7(15)4-8(16)3-6/h6-8,16H,1-5H2,(H,14,17)
InChIKeySDESDUFGPSZXIX-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.25
Rot. Bonds1

About 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 115621973) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID115621973
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)5-14-9(17)15-6-1-2-7(15)4-8(16)3-6/h6-8,16H,1-5H2,(H,14,17)
InChIKeySDESDUFGPSZXIX-UHFFFAOYSA-N
XLogP1.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide 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

1-(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78995414
N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 86800124
3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 91650237
(1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 99823220
2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide
CID 108866089
2-(2-hydroxyethyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 109979267
2-(2-hydroxyethyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 109979542
2-(2-hydroxyethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide
CID 109979710
2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 110921848
2-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 111102188
2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 113463020
2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115759198

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 115621973) is 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NCC(F)(F)F)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is SDESDUFGPSZXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)5-14-9(17)15-6-1-2-7(15)4-8(16)3-6/h6-8,16H,1-5H2,(H,14,17).
What are the key properties of 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 252.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 115621973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).