1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene

C18H19F3N2 — CID 4702191

IUPAC1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCC12CCC(C)(c3nc4cc(C(F)(F)F)ccc4nc31)C2(C)C
InChIInChI=1S/C18H19F3N2/c1-15(2)16(3)7-8-17(15,4)14-13(16)22-11-6-5-10(18(19,20)21)9-12(11)23-14/h5-6,9H,7-8H2,1-4H3
InChIKeyXLSCLUADFPCNNH-UHFFFAOYSA-N
MW320.36 g/mol
LogP5.00
Rot. Bonds

About 1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene

1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (PubChem CID 4702191) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.

Molecular Properties

Compound Name1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
PubChem CID4702191
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCC12CCC(C)(c3nc4cc(C(F)(F)F)ccc4nc31)C2(C)C
InChIInChI=1S/C18H19F3N2/c1-15(2)16(3)7-8-17(15,4)14-13(16)22-11-6-5-10(18(19,20)21)9-12(11)23-14/h5-6,9H,7-8H2,1-4H3
InChIKeyXLSCLUADFPCNNH-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The IUPAC name of 1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (CID 4702191) is 1,12,15,15-tetramethyl-6-(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 1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The canonical SMILES for 1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is CC12CCC(C)(c3nc4cc(C(F)(F)F)ccc4nc31)C2(C)C.
What is the InChIKey of 1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The InChIKey is XLSCLUADFPCNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2/c1-15(2)16(3)7-8-17(15,4)14-13(16)22-11-6-5-10(18(19,20)21)9-12(11)23-14/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene has a molecular weight of 320.36 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12,15,15-tetramethyl-6-(trifluoromethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is sourced from PubChem (CID 4702191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).