8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

C19H12F3NO4 — CID 44593161

IUPAC8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESO=C1OCC2=C1C(c1cccc(C(F)(F)F)c1)c1cc3c(cc1N2)OCO3
InChIInChI=1S/C19H12F3NO4/c20-19(21,22)10-3-1-2-9(4-10)16-11-5-14-15(27-8-26-14)6-12(11)23-13-7-25-18(24)17(13)16/h1-6,16,23H,7-8H2
InChIKeyOCVORVFKJVTXNM-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.80
Rot. Bonds1

About 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (PubChem CID 44593161) has the molecular formula C19H12F3NO4 and a molecular weight of 375.30 g/mol. Its IUPAC name is 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one.

Molecular Properties

Compound Name8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
PubChem CID44593161
Molecular FormulaC19H12F3NO4
Molecular Weight375.30 g/mol
Exact Mass375.07
IUPAC Name8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESO=C1OCC2=C1C(c1cccc(C(F)(F)F)c1)c1cc3c(cc1N2)OCO3
InChIInChI=1S/C19H12F3NO4/c20-19(21,22)10-3-1-2-9(4-10)16-11-5-14-15(27-8-26-14)6-12(11)23-13-7-25-18(24)17(13)16/h1-6,16,23H,7-8H2
InChIKeyOCVORVFKJVTXNM-UHFFFAOYSA-N
XLogP3.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The IUPAC name of 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (CID 44593161) is 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one.
What is the SMILES notation for 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The canonical SMILES for 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one is O=C1OCC2=C1C(c1cccc(C(F)(F)F)c1)c1cc3c(cc1N2)OCO3.
What is the InChIKey of 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The InChIKey is OCVORVFKJVTXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO4/c20-19(21,22)10-3-1-2-9(4-10)16-11-5-14-15(27-8-26-14)6-12(11)23-13-7-25-18(24)17(13)16/h1-6,16,23H,7-8H2.
What are the key properties of 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one has a molecular weight of 375.30 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one is sourced from PubChem (CID 44593161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).