11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione

C14H10F3NO3 — CID 102098423

IUPAC11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
SMILESCN1C(=O)C2C3OC(C(F)(F)F)(c4ccccc43)C2C1=O
InChIInChI=1S/C14H10F3NO3/c1-18-11(19)8-9(12(18)20)13(14(15,16)17)7-5-3-2-4-6(7)10(8)21-13/h2-5,8-10H,1H3
InChIKeyQVIBJROKVJQCQC-UHFFFAOYSA-N
MW297.23 g/mol
LogP1.76
Rot. Bonds

About 11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione

11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione (PubChem CID 102098423) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione.

Molecular Properties

Compound Name11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
PubChem CID102098423
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
SMILESCN1C(=O)C2C3OC(C(F)(F)F)(c4ccccc43)C2C1=O
InChIInChI=1S/C14H10F3NO3/c1-18-11(19)8-9(12(18)20)13(14(15,16)17)7-5-3-2-4-6(7)10(8)21-13/h2-5,8-10H,1H3
InChIKeyQVIBJROKVJQCQC-UHFFFAOYSA-N
XLogP1.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(1R,16S,17R,21S)-19-methyl-22-oxa-19-azahexacyclo[14.5.1.02,15.04,13.05,10.017,21]docosa-2(15),3,5,7,9,11,13-heptaene-18,20-dione
CID 15535088
[(1R,8R,9S,13R)-11-methyl-10,12-dioxo-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-trien-1-yl] acetate
CID 134907327
(1R,8S,9R,13S)-1,11-dimethyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 13802388
(1R,8S,9R,13S)-11-methyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 13802392
(1S,8R,9S,13R)-1,8-bis[tert-butyl(dimethyl)silyl]-11-methyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 44219930
1-Dimethoxyphosphoryl-11-methyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 102153886
(1S,8R,9S,13R)-1-methoxy-11-methyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 134907214
1-(4-Iodophenyl)-11-methyl-8-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 135018433
(1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 135051392
(1S,8R,9S,13S)-11-methyl-1-phenyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 138971809
(1S,8S,9R,13S)-11-methyl-1-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 138972011
(1S,8S,9R,13S)-11-methyl-1-(2-methylphenyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 138972574

Frequently Asked Questions

What is the IUPAC name of 11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The IUPAC name of 11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione (CID 102098423) is 11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione.
What is the SMILES notation for 11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The canonical SMILES for 11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione is CN1C(=O)C2C3OC(C(F)(F)F)(c4ccccc43)C2C1=O.
What is the InChIKey of 11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The InChIKey is QVIBJROKVJQCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-18-11(19)8-9(12(18)20)13(14(15,16)17)7-5-3-2-4-6(7)10(8)21-13/h2-5,8-10H,1H3.
What are the key properties of 11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione has a molecular weight of 297.23 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione is sourced from PubChem (CID 102098423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).