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

C17H17F3N2 — CID 4702190

IUPAC1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCC12CCC(c3nc4cc(C(F)(F)F)ccc4nc31)C2(C)C
InChIInChI=1S/C17H17F3N2/c1-15(2)10-6-7-16(15,3)14-13(10)21-12-8-9(17(18,19)20)4-5-11(12)22-14/h4-5,8,10H,6-7H2,1-3H3
InChIKeyKCTRAJWGQWEKHF-UHFFFAOYSA-N
MW306.33 g/mol
LogP4.82
Rot. Bonds

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

1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (PubChem CID 4702190) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.

Molecular Properties

Compound Name1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
PubChem CID4702190
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCC12CCC(c3nc4cc(C(F)(F)F)ccc4nc31)C2(C)C
InChIInChI=1S/C17H17F3N2/c1-15(2)10-6-7-16(15,3)14-13(10)21-12-8-9(17(18,19)20)4-5-11(12)22-14/h4-5,8,10H,6-7H2,1-3H3
InChIKeyKCTRAJWGQWEKHF-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The IUPAC name of 1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (CID 4702190) is 1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.
What is the SMILES notation for 1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The canonical SMILES for 1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is CC12CCC(c3nc4cc(C(F)(F)F)ccc4nc31)C2(C)C.
What is the InChIKey of 1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The InChIKey is KCTRAJWGQWEKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2/c1-15(2)10-6-7-16(15,3)14-13(10)21-12-8-9(17(18,19)20)4-5-11(12)22-14/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene has a molecular weight of 306.33 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15,15-trimethyl-7-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is sourced from PubChem (CID 4702190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).