11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene

C18H16FNO — CID 169317835

IUPAC11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene
SMILESCC12C=C(c3ccc(F)cc3)OC(C1)c1ccccc1N2
InChIInChI=1S/C18H16FNO/c1-18-10-16(12-6-8-13(19)9-7-12)21-17(11-18)14-4-2-3-5-15(14)20-18/h2-10,17,20H,11H2,1H3
InChIKeyBYIWZEZIDGNFRW-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.51
Rot. Bonds1

About 11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene

11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene (PubChem CID 169317835) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene.

Molecular Properties

Compound Name11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene
PubChem CID169317835
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene
SMILESCC12C=C(c3ccc(F)cc3)OC(C1)c1ccccc1N2
InChIInChI=1S/C18H16FNO/c1-18-10-16(12-6-8-13(19)9-7-12)21-17(11-18)14-4-2-3-5-15(14)20-18/h2-10,17,20H,11H2,1H3
InChIKeyBYIWZEZIDGNFRW-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene?
The IUPAC name of 11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene (CID 169317835) is 11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene.
What is the SMILES notation for 11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene?
The canonical SMILES for 11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene is CC12C=C(c3ccc(F)cc3)OC(C1)c1ccccc1N2.
What is the InChIKey of 11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene?
The InChIKey is BYIWZEZIDGNFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-18-10-16(12-6-8-13(19)9-7-12)21-17(11-18)14-4-2-3-5-15(14)20-18/h2-10,17,20H,11H2,1H3.
What are the key properties of 11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene?
11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene has a molecular weight of 281.33 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene is sourced from PubChem (CID 169317835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).