16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene

C16H11F3N2O — CID 132511211

IUPAC16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene
SMILESFC(F)(F)c1ccc2c(c1)Oc1ccccc1C1=NCCN12
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)10-5-6-12-14(9-10)22-13-4-2-1-3-11(13)15-20-7-8-21(12)15/h1-6,9H,7-8H2
InChIKeyFQKAWVDCVXTMEQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.08
Rot. Bonds

About 16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene

16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene (PubChem CID 132511211) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene.

Molecular Properties

Compound Name16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene
PubChem CID132511211
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene
SMILESFC(F)(F)c1ccc2c(c1)Oc1ccccc1C1=NCCN12
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)10-5-6-12-14(9-10)22-13-4-2-1-3-11(13)15-20-7-8-21(12)15/h1-6,9H,7-8H2
InChIKeyFQKAWVDCVXTMEQ-UHFFFAOYSA-N
XLogP4.08
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene?
The IUPAC name of 16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene (CID 132511211) is 16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene.
What is the SMILES notation for 16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene?
The canonical SMILES for 16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene is FC(F)(F)c1ccc2c(c1)Oc1ccccc1C1=NCCN12.
What is the InChIKey of 16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene?
The InChIKey is FQKAWVDCVXTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)10-5-6-12-14(9-10)22-13-4-2-1-3-11(13)15-20-7-8-21(12)15/h1-6,9H,7-8H2.
What are the key properties of 16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene?
16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene has a molecular weight of 304.27 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene is sourced from PubChem (CID 132511211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).