4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

C17H15F2N — CID 24966129

IUPAC4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESCC12Cc3ccc(F)cc3C(CN1)c1cc(F)ccc12
InChIInChI=1S/C17H15F2N/c1-17-8-10-2-3-11(18)6-13(10)15(9-20-17)14-7-12(19)4-5-16(14)17/h2-7,15,20H,8-9H2,1H3
InChIKeyDAVMYGCLSYJFLA-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.47
Rot. Bonds

About 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene (PubChem CID 24966129) has the molecular formula C17H15F2N and a molecular weight of 271.31 g/mol. Its IUPAC name is 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene.

Molecular Properties

Compound Name4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
PubChem CID24966129
Molecular FormulaC17H15F2N
Molecular Weight271.31 g/mol
Exact Mass271.12
IUPAC Name4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESCC12Cc3ccc(F)cc3C(CN1)c1cc(F)ccc12
InChIInChI=1S/C17H15F2N/c1-17-8-10-2-3-11(18)6-13(10)15(9-20-17)14-7-12(19)4-5-16(14)17/h2-7,15,20H,8-9H2,1H3
InChIKeyDAVMYGCLSYJFLA-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The IUPAC name of 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene (CID 24966129) is 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene.
What is the SMILES notation for 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The canonical SMILES for 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene is CC12Cc3ccc(F)cc3C(CN1)c1cc(F)ccc12.
What is the InChIKey of 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The InChIKey is DAVMYGCLSYJFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N/c1-17-8-10-2-3-11(18)6-13(10)15(9-20-17)14-7-12(19)4-5-16(14)17/h2-7,15,20H,8-9H2,1H3.
What are the key properties of 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene has a molecular weight of 271.31 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene is sourced from PubChem (CID 24966129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).