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10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene

C18H13FO — CID 75059815

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene
SMILESFc1ccc(C2=CC3C4OC(c5ccccc54)C23)cc1
InChIInChI=1S/C18H13FO/c19-11-7-5-10(6-8-11)14-9-15-16(14)18-13-4-2-1-3-12(13)17(15)20-18/h1-9,15-18H
InChIKeyKCRBYZNZERGRFJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.28
Rot. Bonds1

About 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene

10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene (PubChem CID 75059815) has the molecular formula C18H13FO and a molecular weight of 264.30 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene.

Molecular Properties

Compound Name10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene
PubChem CID75059815
Molecular FormulaC18H13FO
Molecular Weight264.30 g/mol
Exact Mass264.10
IUPAC Name10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene
SMILESFc1ccc(C2=CC3C4OC(c5ccccc54)C23)cc1
InChIInChI=1S/C18H13FO/c19-11-7-5-10(6-8-11)14-9-15-16(14)18-13-4-2-1-3-12(13)17(15)20-18/h1-9,15-18H
InChIKeyKCRBYZNZERGRFJ-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene?
The IUPAC name of 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene (CID 75059815) is 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene.
What is the SMILES notation for 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene?
The canonical SMILES for 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene is Fc1ccc(C2=CC3C4OC(c5ccccc54)C23)cc1.
What is the InChIKey of 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene?
The InChIKey is KCRBYZNZERGRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO/c19-11-7-5-10(6-8-11)14-9-15-16(14)18-13-4-2-1-3-12(13)17(15)20-18/h1-9,15-18H.
What are the key properties of 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene?
10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene has a molecular weight of 264.30 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene is sourced from PubChem (CID 75059815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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