(2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene

C13H15F3N2O — CID 177205664

IUPAC(2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene
SMILESC[C@@H]1O[C@H]2CCCN[C@H]2c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C13H15F3N2O/c1-7-11-8(4-5-10(18-11)13(14,15)16)12-9(19-7)3-2-6-17-12/h4-5,7,9,12,17H,2-3,6H2,1H3/t7-,9-,12-/m0/s1
InChIKeyFKSJNYJYBDPHCW-DXBFQKDVSA-N
MW272.27 g/mol
LogP2.98
Rot. Bonds

About (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene

(2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene (PubChem CID 177205664) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene.

Molecular Properties

Compound Name(2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene
PubChem CID177205664
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name(2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene
SMILESC[C@@H]1O[C@H]2CCCN[C@H]2c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C13H15F3N2O/c1-7-11-8(4-5-10(18-11)13(14,15)16)12-9(19-7)3-2-6-17-12/h4-5,7,9,12,17H,2-3,6H2,1H3/t7-,9-,12-/m0/s1
InChIKeyFKSJNYJYBDPHCW-DXBFQKDVSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene?
The IUPAC name of (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene (CID 177205664) is (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene.
What is the SMILES notation for (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene?
The canonical SMILES for (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene is C[C@@H]1O[C@H]2CCCN[C@H]2c2ccc(C(F)(F)F)nc21.
What is the InChIKey of (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene?
The InChIKey is FKSJNYJYBDPHCW-DXBFQKDVSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-7-11-8(4-5-10(18-11)13(14,15)16)12-9(19-7)3-2-6-17-12/h4-5,7,9,12,17H,2-3,6H2,1H3/t7-,9-,12-/m0/s1.
What are the key properties of (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene?
(2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene has a molecular weight of 272.27 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7S,9S)-9-methyl-12-(trifluoromethyl)-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene is sourced from PubChem (CID 177205664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).