6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

C11H11FN2O2 — CID 75481471

IUPAC6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCC12CC(NC(=O)N1)c1cccc(F)c1O2
InChIInChI=1S/C11H11FN2O2/c1-11-5-8(13-10(15)14-11)6-3-2-4-7(12)9(6)16-11/h2-4,8H,5H2,1H3,(H2,13,14,15)
InChIKeyFXAWPDWPBFVGGF-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.68
Rot. Bonds

About 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (PubChem CID 75481471) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

Molecular Properties

Compound Name6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
PubChem CID75481471
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCC12CC(NC(=O)N1)c1cccc(F)c1O2
InChIInChI=1S/C11H11FN2O2/c1-11-5-8(13-10(15)14-11)6-3-2-4-7(12)9(6)16-11/h2-4,8H,5H2,1H3,(H2,13,14,15)
InChIKeyFXAWPDWPBFVGGF-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one with MolForge

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Launch Full Analysis

Related Compounds

3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
CID 3241838
3-benzyl-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
CID 4409549
6-Methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one
CID 3661686
2-methyl-3-(2-phenylethyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
CID 3239988
3-benzyl-10-methoxy-2-methyl-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one
CID 4622786
Urea, 9H-xanthen-9-yl-
CID 156485
3-(2-fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
CID 3554340
3-(3-fluorophenyl)-2-methyl-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one
CID 3677190
3-(2,5-difluorophenyl)-2-methyl-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one
CID 4143047
3-(4-fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
CID 5239348
1-Benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 11336410
1-Ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 11369133

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The IUPAC name of 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (CID 75481471) is 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.
What is the SMILES notation for 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The canonical SMILES for 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is CC12CC(NC(=O)N1)c1cccc(F)c1O2.
What is the InChIKey of 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The InChIKey is FXAWPDWPBFVGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-11-5-8(13-10(15)14-11)6-3-2-4-7(12)9(6)16-11/h2-4,8H,5H2,1H3,(H2,13,14,15).
What are the key properties of 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one has a molecular weight of 222.22 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is sourced from PubChem (CID 75481471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).