16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one

C15H10FNO3 — CID 139809963

IUPAC16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one
SMILESCn1c2cccc(F)c2c2cc3c(cc(=O)c21)OCO3
InChIInChI=1S/C15H10FNO3/c1-17-10-4-2-3-9(16)14(10)8-5-12-13(20-7-19-12)6-11(18)15(8)17/h2-6H,7H2,1H3
InChIKeyNEXWCEDTRUMRBE-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.56
Rot. Bonds

About 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one

16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one (PubChem CID 139809963) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one.

Molecular Properties

Compound Name16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one
PubChem CID139809963
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one
SMILESCn1c2cccc(F)c2c2cc3c(cc(=O)c21)OCO3
InChIInChI=1S/C15H10FNO3/c1-17-10-4-2-3-9(16)14(10)8-5-12-13(20-7-19-12)6-11(18)15(8)17/h2-6H,7H2,1H3
InChIKeyNEXWCEDTRUMRBE-UHFFFAOYSA-N
XLogP2.56
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one?
The IUPAC name of 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one (CID 139809963) is 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one.
What is the SMILES notation for 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one?
The canonical SMILES for 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one is Cn1c2cccc(F)c2c2cc3c(cc(=O)c21)OCO3.
What is the InChIKey of 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one?
The InChIKey is NEXWCEDTRUMRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c1-17-10-4-2-3-9(16)14(10)8-5-12-13(20-7-19-12)6-11(18)15(8)17/h2-6H,7H2,1H3.
What are the key properties of 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one?
16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one has a molecular weight of 271.25 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-fluoro-11-methyl-4,6-dioxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),2,7,12(17),13,15-hexaen-9-one is sourced from PubChem (CID 139809963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).