(11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene

C14H17F3N6O — CID 170394631

IUPAC(11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene
SMILESCc1nn(C)c2c1Nc1ncc(C(F)(F)F)c(n1)N[C@H](C)CCO2
InChIInChI=1S/C14H17F3N6O/c1-7-4-5-24-12-10(8(2)22-23(12)3)20-13-18-6-9(14(15,16)17)11(19-7)21-13/h6-7H,4-5H2,1-3H3,(H2,18,19,20,21)/t7-/m1/s1
InChIKeyGKTKAYXVHZHUEP-SSDOTTSWSA-N
MW342.33 g/mol
LogP2.86
Rot. Bonds

About (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene

(11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene (PubChem CID 170394631) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene.

Molecular Properties

Compound Name(11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene
PubChem CID170394631
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name(11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene
SMILESCc1nn(C)c2c1Nc1ncc(C(F)(F)F)c(n1)N[C@H](C)CCO2
InChIInChI=1S/C14H17F3N6O/c1-7-4-5-24-12-10(8(2)22-23(12)3)20-13-18-6-9(14(15,16)17)11(19-7)21-13/h6-7H,4-5H2,1-3H3,(H2,18,19,20,21)/t7-/m1/s1
InChIKeyGKTKAYXVHZHUEP-SSDOTTSWSA-N
XLogP2.86
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene?
The IUPAC name of (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene (CID 170394631) is (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene.
What is the SMILES notation for (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene?
The canonical SMILES for (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene is Cc1nn(C)c2c1Nc1ncc(C(F)(F)F)c(n1)N[C@H](C)CCO2.
What is the InChIKey of (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene?
The InChIKey is GKTKAYXVHZHUEP-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-7-4-5-24-12-10(8(2)22-23(12)3)20-13-18-6-9(14(15,16)17)11(19-7)21-13/h6-7H,4-5H2,1-3H3,(H2,18,19,20,21)/t7-/m1/s1.
What are the key properties of (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene?
(11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene has a molecular weight of 342.33 g/mol, XLogP of 2.86, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-4,6,11-trimethyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene is sourced from PubChem (CID 170394631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).