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

C9H13F3N2O2 — CID 115667108

IUPACN-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC2CCC(C1)O2
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)5-13-8(15)14-3-6-1-2-7(4-14)16-6/h6-7H,1-5H2,(H,13,15)
InChIKeyBFLSVEWEIGIGLU-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.12
Rot. Bonds1

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

N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 115667108) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID115667108
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC2CCC(C1)O2
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)5-13-8(15)14-3-6-1-2-7(4-14)16-6/h6-7H,1-5H2,(H,13,15)
InChIKeyBFLSVEWEIGIGLU-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[(Oxolan-2-yl)methyl]morpholine-4-carboxamide
CID 3311551
3-(2,2-Difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 86817987
N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
CID 735630
3-[1-(2,2-Difluoroethyl)piperidin-4-yl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 72145137
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79079805
3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95762779
3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95762780
3-(2,2-difluoroethyl)-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99615590
3-(2,2-difluoroethyl)-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 99615592
1-Methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592917
1-Ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592924
4-(2-fluoroethyl)-N-((tetrahydrofuran-2-yl)methyl)piperazine-1-carboxamide
CID 119104743

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 115667108) is N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide is O=C(NCC(F)(F)F)N1CC2CCC(C1)O2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is BFLSVEWEIGIGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)5-13-8(15)14-3-6-1-2-7(4-14)16-6/h6-7H,1-5H2,(H,13,15).
What are the key properties of N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 238.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 115667108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).