11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

C11H10F3N3O4 — CID 134318862

IUPAC11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESO=C1c2c(O)c(=O)ccn2NC2COC(C(F)(F)F)CN12
InChIInChI=1S/C11H10F3N3O4/c12-11(13,14)6-3-16-7(4-21-6)15-17-2-1-5(18)9(19)8(17)10(16)20/h1-2,6-7,15,19H,3-4H2
InChIKeyUFEZAUAOQSOLEX-UHFFFAOYSA-N
MW305.21 g/mol
LogP-0.16
Rot. Bonds

About 11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 134318862) has the molecular formula C11H10F3N3O4 and a molecular weight of 305.21 g/mol. Its IUPAC name is 11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID134318862
Molecular FormulaC11H10F3N3O4
Molecular Weight305.21 g/mol
Exact Mass305.06
IUPAC Name11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESO=C1c2c(O)c(=O)ccn2NC2COC(C(F)(F)F)CN12
InChIInChI=1S/C11H10F3N3O4/c12-11(13,14)6-3-16-7(4-21-6)15-17-2-1-5(18)9(19)8(17)10(16)20/h1-2,6-7,15,19H,3-4H2
InChIKeyUFEZAUAOQSOLEX-UHFFFAOYSA-N
XLogP-0.16
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of 11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 134318862) is 11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for 11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for 11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is O=C1c2c(O)c(=O)ccn2NC2COC(C(F)(F)F)CN12.
What is the InChIKey of 11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is UFEZAUAOQSOLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O4/c12-11(13,14)6-3-16-7(4-21-6)15-17-2-1-5(18)9(19)8(17)10(16)20/h1-2,6-7,15,19H,3-4H2.
What are the key properties of 11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 305.21 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-6-(trifluoromethyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 134318862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).