1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C12H19F3N2O2 — CID 78924223

IUPAC1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCOC2CCCCC21
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-16-7-11(18)17-5-6-19-10-4-2-1-3-9(10)17/h9-10,16H,1-8H2
InChIKeyJBLYZIVCTICDPO-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.31
Rot. Bonds3

About 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78924223) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78924223
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCOC2CCCCC21
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-16-7-11(18)17-5-6-19-10-4-2-1-3-9(10)17/h9-10,16H,1-8H2
InChIKeyJBLYZIVCTICDPO-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone 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

(3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide
CID 129347020
2-[[2-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56796775
1-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-yl)-2,2,2-trifluoroethanone
CID 62492323
N-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62558602
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 71937103
2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 75385905
N-methyl-N-(oxan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957954
1-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-yl)-2-amino-3,3,3-trifluoro-2-methylpropan-1-one
CID 79806108
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86845357
1-[4-[2-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 86868113
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 95043825
2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 95371977

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 78924223) is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCOC2CCCCC21.
What is the InChIKey of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is JBLYZIVCTICDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)8-16-7-11(18)17-5-6-19-10-4-2-1-3-9(10)17/h9-10,16H,1-8H2.
What are the key properties of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 280.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78924223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).