12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one

C18H18F3N3O2 — CID 138526048

IUPAC12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one
SMILESCC1(C)OC(C)(C)c2c1c(=O)nc1n2CCc2nc(C(F)(F)F)ccc2-1
InChIInChI=1S/C18H18F3N3O2/c1-16(2)12-13(17(3,4)26-16)24-8-7-10-9(14(24)23-15(12)25)5-6-11(22-10)18(19,20)21/h5-6H,7-8H2,1-4H3
InChIKeySRWMRRHEBFYYBB-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.38
Rot. Bonds

About 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one

12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one (PubChem CID 138526048) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one.

Molecular Properties

Compound Name12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one
PubChem CID138526048
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one
SMILESCC1(C)OC(C)(C)c2c1c(=O)nc1n2CCc2nc(C(F)(F)F)ccc2-1
InChIInChI=1S/C18H18F3N3O2/c1-16(2)12-13(17(3,4)26-16)24-8-7-10-9(14(24)23-15(12)25)5-6-11(22-10)18(19,20)21/h5-6H,7-8H2,1-4H3
InChIKeySRWMRRHEBFYYBB-UHFFFAOYSA-N
XLogP3.38
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one?
The IUPAC name of 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one (CID 138526048) is 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one.
What is the SMILES notation for 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one?
The canonical SMILES for 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one is CC1(C)OC(C)(C)c2c1c(=O)nc1n2CCc2nc(C(F)(F)F)ccc2-1.
What is the InChIKey of 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one?
The InChIKey is SRWMRRHEBFYYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-16(2)12-13(17(3,4)26-16)24-8-7-10-9(14(24)23-15(12)25)5-6-11(22-10)18(19,20)21/h5-6H,7-8H2,1-4H3.
What are the key properties of 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one?
12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one has a molecular weight of 365.36 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,14,14-tetramethyl-5-(trifluoromethyl)-13-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,11(15)-pentaen-16-one is sourced from PubChem (CID 138526048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).