13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene

C16H13FN2O — CID 115404547

IUPAC13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
SMILESCC1(C)Oc2ccccc2-c2nc3ccc(F)cn3c21
InChIInChI=1S/C16H13FN2O/c1-16(2)15-14(11-5-3-4-6-12(11)20-16)18-13-8-7-10(17)9-19(13)15/h3-9H,1-2H3
InChIKeyGPFBALICUJKGJA-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.77
Rot. Bonds

About 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene

13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene (PubChem CID 115404547) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene.

Molecular Properties

Compound Name13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
PubChem CID115404547
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
SMILESCC1(C)Oc2ccccc2-c2nc3ccc(F)cn3c21
InChIInChI=1S/C16H13FN2O/c1-16(2)15-14(11-5-3-4-6-12(11)20-16)18-13-8-7-10(17)9-19(13)15/h3-9H,1-2H3
InChIKeyGPFBALICUJKGJA-UHFFFAOYSA-N
XLogP3.77
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene with MolForge

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Related Compounds

13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
CID 115404069
13-bromo-9,9,15-trimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
CID 83168913
13-ethyl-9,9-dimethyl-8-oxa-14-thia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
CID 107646342
spiro[8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-9,9'-thioxanthene]
CID 59126016
[2-(2-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82060637
13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
CID 115403744
2-fluoropyrido[1,2-a]benzimidazole
CID 125485836
2-(2,3-dimethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-amine
CID 63617289
[6-fluoro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060718
6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617964
13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 59113303
6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine
CID 63616620

Frequently Asked Questions

What is the IUPAC name of 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The IUPAC name of 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene (CID 115404547) is 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene.
What is the SMILES notation for 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The canonical SMILES for 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene is CC1(C)Oc2ccccc2-c2nc3ccc(F)cn3c21.
What is the InChIKey of 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The InChIKey is GPFBALICUJKGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-16(2)15-14(11-5-3-4-6-12(11)20-16)18-13-8-7-10(17)9-19(13)15/h3-9H,1-2H3.
What are the key properties of 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene has a molecular weight of 268.29 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene is sourced from PubChem (CID 115404547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).