5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene

C17H15FO — CID 132534624

IUPAC5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene
SMILESCC12CCOc3cccc(c31)-c1ccc(F)cc1C2
InChIInChI=1S/C17H15FO/c1-17-7-8-19-15-4-2-3-14(16(15)17)13-6-5-12(18)9-11(13)10-17/h2-6,9H,7-8,10H2,1H3
InChIKeyMJDMABGKGSVPCY-UHFFFAOYSA-N
MW254.30 g/mol
LogP4.09
Rot. Bonds

About 5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene

5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene (PubChem CID 132534624) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene.

Molecular Properties

Compound Name5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene
PubChem CID132534624
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene
SMILESCC12CCOc3cccc(c31)-c1ccc(F)cc1C2
InChIInChI=1S/C17H15FO/c1-17-7-8-19-15-4-2-3-14(16(15)17)13-6-5-12(18)9-11(13)10-17/h2-6,9H,7-8,10H2,1H3
InChIKeyMJDMABGKGSVPCY-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene?
The IUPAC name of 5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene (CID 132534624) is 5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene.
What is the SMILES notation for 5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene?
The canonical SMILES for 5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene is CC12CCOc3cccc(c31)-c1ccc(F)cc1C2.
What is the InChIKey of 5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene?
The InChIKey is MJDMABGKGSVPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO/c1-17-7-8-19-15-4-2-3-14(16(15)17)13-6-5-12(18)9-11(13)10-17/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene?
5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene has a molecular weight of 254.30 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene is sourced from PubChem (CID 132534624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).