5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene

C15H16FN3 — CID 134863905

IUPAC5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene
SMILESCC1(C)c2cc(F)ccc2NC2c3ccnn3CC21
InChIInChI=1S/C15H16FN3/c1-15(2)10-7-9(16)3-4-12(10)18-14-11(15)8-19-13(14)5-6-17-19/h3-7,11,14,18H,8H2,1-2H3
InChIKeyXZSASDNGNKPTPC-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.10
Rot. Bonds

About 5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene

5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene (PubChem CID 134863905) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene.

Molecular Properties

Compound Name5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene
PubChem CID134863905
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene
SMILESCC1(C)c2cc(F)ccc2NC2c3ccnn3CC21
InChIInChI=1S/C15H16FN3/c1-15(2)10-7-9(16)3-4-12(10)18-14-11(15)8-19-13(14)5-6-17-19/h3-7,11,14,18H,8H2,1-2H3
InChIKeyXZSASDNGNKPTPC-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene?
The IUPAC name of 5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene (CID 134863905) is 5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene.
What is the SMILES notation for 5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene?
The canonical SMILES for 5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene is CC1(C)c2cc(F)ccc2NC2c3ccnn3CC21.
What is the InChIKey of 5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene?
The InChIKey is XZSASDNGNKPTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c1-15(2)10-7-9(16)3-4-12(10)18-14-11(15)8-19-13(14)5-6-17-19/h3-7,11,14,18H,8H2,1-2H3.
What are the key properties of 5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene?
5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene has a molecular weight of 257.31 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,2-dimethyl-9,14,15-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,11,13-pentaene is sourced from PubChem (CID 134863905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).