14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene

C16H16F3NO2 — CID 168939697

IUPAC14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene
SMILESFC(F)(F)Oc1ccc2c3c(oc2c1)CC1CCCN1CC3
InChIInChI=1S/C16H16F3NO2/c17-16(18,19)22-11-3-4-12-13-5-7-20-6-1-2-10(20)8-14(13)21-15(12)9-11/h3-4,9-10H,1-2,5-8H2
InChIKeyANBCGFCWOAVTMD-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.89
Rot. Bonds1

About 14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene

14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene (PubChem CID 168939697) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene.

Molecular Properties

Compound Name14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene
PubChem CID168939697
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene
SMILESFC(F)(F)Oc1ccc2c3c(oc2c1)CC1CCCN1CC3
InChIInChI=1S/C16H16F3NO2/c17-16(18,19)22-11-3-4-12-13-5-7-20-6-1-2-10(20)8-14(13)21-15(12)9-11/h3-4,9-10H,1-2,5-8H2
InChIKeyANBCGFCWOAVTMD-UHFFFAOYSA-N
XLogP3.89
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene?
The IUPAC name of 14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene (CID 168939697) is 14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene.
What is the SMILES notation for 14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene?
The canonical SMILES for 14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene is FC(F)(F)Oc1ccc2c3c(oc2c1)CC1CCCN1CC3.
What is the InChIKey of 14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene?
The InChIKey is ANBCGFCWOAVTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c17-16(18,19)22-11-3-4-12-13-5-7-20-6-1-2-10(20)8-14(13)21-15(12)9-11/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene?
14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene has a molecular weight of 311.30 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(trifluoromethoxy)-17-oxa-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene is sourced from PubChem (CID 168939697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).