(11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene

C15H19F3N6 — CID 170397322

IUPAC(11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
SMILESCc1nn2c(c1C)Nc1ncc(C(F)(F)F)c(n1)N[C@H](C)CCC2
InChIInChI=1S/C15H19F3N6/c1-8-5-4-6-24-13(9(2)10(3)23-24)22-14-19-7-11(15(16,17)18)12(20-8)21-14/h7-8H,4-6H2,1-3H3,(H2,19,20,21,22)/t8-/m1/s1
InChIKeyKFMDHDJXWPOTAR-MRVPVSSYSA-N
MW340.35 g/mol
LogP3.65
Rot. Bonds

About (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene

(11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene (PubChem CID 170397322) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene.

Molecular Properties

Compound Name(11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
PubChem CID170397322
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name(11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
SMILESCc1nn2c(c1C)Nc1ncc(C(F)(F)F)c(n1)N[C@H](C)CCC2
InChIInChI=1S/C15H19F3N6/c1-8-5-4-6-24-13(9(2)10(3)23-24)22-14-19-7-11(15(16,17)18)12(20-8)21-14/h7-8H,4-6H2,1-3H3,(H2,19,20,21,22)/t8-/m1/s1
InChIKeyKFMDHDJXWPOTAR-MRVPVSSYSA-N
XLogP3.65
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene?
The IUPAC name of (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene (CID 170397322) is (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene.
What is the SMILES notation for (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene?
The canonical SMILES for (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene is Cc1nn2c(c1C)Nc1ncc(C(F)(F)F)c(n1)N[C@H](C)CCC2.
What is the InChIKey of (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene?
The InChIKey is KFMDHDJXWPOTAR-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-8-5-4-6-24-13(9(2)10(3)23-24)22-14-19-7-11(15(16,17)18)12(20-8)21-14/h7-8H,4-6H2,1-3H3,(H2,19,20,21,22)/t8-/m1/s1.
What are the key properties of (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene?
(11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene has a molecular weight of 340.35 g/mol, XLogP of 3.65, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene is sourced from PubChem (CID 170397322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).