17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene

C16H15F3N2O — CID 177046167

IUPAC17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene
SMILESCc1cc(C(F)(F)F)cc2c1-c1nnccc1CCCOC2
InChIInChI=1S/C16H15F3N2O/c1-10-7-13(16(17,18)19)8-12-9-22-6-2-3-11-4-5-20-21-15(11)14(10)12/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyUYJYMSXOQVQENA-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.93
Rot. Bonds

About 17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene

17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene (PubChem CID 177046167) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene.

Molecular Properties

Compound Name17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene
PubChem CID177046167
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene
SMILESCc1cc(C(F)(F)F)cc2c1-c1nnccc1CCCOC2
InChIInChI=1S/C16H15F3N2O/c1-10-7-13(16(17,18)19)8-12-9-22-6-2-3-11-4-5-20-21-15(11)14(10)12/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyUYJYMSXOQVQENA-UHFFFAOYSA-N
XLogP3.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene?
The IUPAC name of 17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene (CID 177046167) is 17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene.
What is the SMILES notation for 17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene?
The canonical SMILES for 17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene is Cc1cc(C(F)(F)F)cc2c1-c1nnccc1CCCOC2.
What is the InChIKey of 17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene?
The InChIKey is UYJYMSXOQVQENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-10-7-13(16(17,18)19)8-12-9-22-6-2-3-11-4-5-20-21-15(11)14(10)12/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene?
17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene has a molecular weight of 308.30 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene is sourced from PubChem (CID 177046167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).