(2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol

C12H11F6N5O — CID 156847136

IUPAC(2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol
SMILESC[C@H]1Cn2c(nnc2C(F)(F)F)-c2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C12H11F6N5O/c1-5-4-22-7(20-21-9(22)11(13,14)15)6-3-19-8(23(5)6)10(2,24)12(16,17)18/h3,5,24H,4H2,1-2H3/t5-,10+/m0/s1
InChIKeyXPUCNMFFQQYSOK-XUOSJQGZSA-N
MW355.24 g/mol
LogP2.50
Rot. Bonds1

About (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol

(2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol (PubChem CID 156847136) has the molecular formula C12H11F6N5O and a molecular weight of 355.24 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol
PubChem CID156847136
Molecular FormulaC12H11F6N5O
Molecular Weight355.24 g/mol
Exact Mass355.09
IUPAC Name(2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol
SMILESC[C@H]1Cn2c(nnc2C(F)(F)F)-c2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C12H11F6N5O/c1-5-4-22-7(20-21-9(22)11(13,14)15)6-3-19-8(23(5)6)10(2,24)12(16,17)18/h3,5,24H,4H2,1-2H3/t5-,10+/m0/s1
InChIKeyXPUCNMFFQQYSOK-XUOSJQGZSA-N
XLogP2.50
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol 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 (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol (CID 156847136) is (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol is C[C@H]1Cn2c(nnc2C(F)(F)F)-c2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol?
The InChIKey is XPUCNMFFQQYSOK-XUOSJQGZSA-N. The full InChI is InChI=1S/C12H11F6N5O/c1-5-4-22-7(20-21-9(22)11(13,14)15)6-3-19-8(23(5)6)10(2,24)12(16,17)18/h3,5,24H,4H2,1-2H3/t5-,10+/m0/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol has a molecular weight of 355.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol is sourced from PubChem (CID 156847136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).