1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone

C15H15F3N2O2 — CID 23654200

IUPAC1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone
SMILESCc1coc2nc3c(cc12)C(C)CN(C(=O)C(F)(F)F)CC3
InChIInChI=1S/C15H15F3N2O2/c1-8-6-20(14(21)15(16,17)18)4-3-12-10(8)5-11-9(2)7-22-13(11)19-12/h5,7-8H,3-4,6H2,1-2H3
InChIKeyLPLZBFXASOOCAI-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.19
Rot. Bonds

About 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone

1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone (PubChem CID 23654200) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone
PubChem CID23654200
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone
SMILESCc1coc2nc3c(cc12)C(C)CN(C(=O)C(F)(F)F)CC3
InChIInChI=1S/C15H15F3N2O2/c1-8-6-20(14(21)15(16,17)18)4-3-12-10(8)5-11-9(2)7-22-13(11)19-12/h5,7-8H,3-4,6H2,1-2H3
InChIKeyLPLZBFXASOOCAI-UHFFFAOYSA-N
XLogP3.19
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone with MolForge

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Related Compounds

6-Methylfuro[2,3-b]pyridine
CID 56972636
2,6-Dimethyl-3-(trifluoromethyl)furo[2,3-b]pyridine
CID 58078839
2-Methyl-3,6-bis(trifluoromethyl)furo[2,3-b]pyridine
CID 88573481
2-Bromo-2-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]acetaldehyde
CID 89873375
2-[6-Methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]acetaldehyde
CID 89873454
1-(6-Methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl)ethanone
CID 89873460
6-(Trifluoromethyl)furo[2,3-b]pyridine
CID 91152384
1-[6-Methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one
CID 91266384
N-ethyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 117603689
4,6-Dimethyl-2-(2,2,2-trifluoroethyl)furo[2,3-b]pyridine
CID 134605046
7-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepine;methanamine;2-methyl-1-oxo-3H-isoindole-4-carbaldehyde
CID 145451576
6-Methyl-4-(trifluoromethyl)furo[2,3-b]pyridine
CID 152036487

Frequently Asked Questions

What is the IUPAC name of 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone (CID 23654200) is 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone is Cc1coc2nc3c(cc12)C(C)CN(C(=O)C(F)(F)F)CC3.
What is the InChIKey of 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone?
The InChIKey is LPLZBFXASOOCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-8-6-20(14(21)15(16,17)18)4-3-12-10(8)5-11-9(2)7-22-13(11)19-12/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone?
1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone has a molecular weight of 312.29 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,10-dimethyl-4-oxa-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-12-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 23654200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).