7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene

C16H17FN2 — CID 122176306

IUPAC7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCC12CCC(c3nc4cc(F)ccc4nc31)C2(C)C
InChIInChI=1S/C16H17FN2/c1-15(2)10-6-7-16(15,3)14-13(10)18-12-8-9(17)4-5-11(12)19-14/h4-5,8,10H,6-7H2,1-3H3
InChIKeyXHFYFMZUOCIZRK-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.94
Rot. Bonds

About 7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene

7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (PubChem CID 122176306) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.

Molecular Properties

Compound Name7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
PubChem CID122176306
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCC12CCC(c3nc4cc(F)ccc4nc31)C2(C)C
InChIInChI=1S/C16H17FN2/c1-15(2)10-6-7-16(15,3)14-13(10)18-12-8-9(17)4-5-11(12)19-14/h4-5,8,10H,6-7H2,1-3H3
InChIKeyXHFYFMZUOCIZRK-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The IUPAC name of 7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (CID 122176306) is 7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.
What is the SMILES notation for 7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The canonical SMILES for 7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is CC12CCC(c3nc4cc(F)ccc4nc31)C2(C)C.
What is the InChIKey of 7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The InChIKey is XHFYFMZUOCIZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-15(2)10-6-7-16(15,3)14-13(10)18-12-8-9(17)4-5-11(12)19-14/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene has a molecular weight of 256.32 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is sourced from PubChem (CID 122176306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).