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

C14H12F9N5O2 — CID 167296055

IUPAC(2R)-1,1,1-trifluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol
SMILESCOC(c1nnc2n1CCn1c-2cnc1[C@@](C)(O)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H12F9N5O2/c1-10(29,12(15,16)17)8-24-5-6-7-25-26-9(28(7)4-3-27(6)8)11(30-2,13(18,19)20)14(21,22)23/h5,29H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyQQQCEBTTXJYPTQ-SNVBAGLBSA-N
MW453.27 g/mol
LogP2.89
Rot. Bonds3

About (2R)-1,1,1-trifluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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 167296055) has the molecular formula C14H12F9N5O2 and a molecular weight of 453.27 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol
PubChem CID167296055
Molecular FormulaC14H12F9N5O2
Molecular Weight453.27 g/mol
Exact Mass453.08
IUPAC Name(2R)-1,1,1-trifluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol
SMILESCOC(c1nnc2n1CCn1c-2cnc1[C@@](C)(O)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H12F9N5O2/c1-10(29,12(15,16)17)8-24-5-6-7-25-26-9(28(7)4-3-27(6)8)11(30-2,13(18,19)20)14(21,22)23/h5,29H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyQQQCEBTTXJYPTQ-SNVBAGLBSA-N
XLogP2.89
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1,1,1-trifluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol (CID 167296055) is (2R)-1,1,1-trifluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol is COC(c1nnc2n1CCn1c-2cnc1[C@@](C)(O)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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 QQQCEBTTXJYPTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12F9N5O2/c1-10(29,12(15,16)17)8-24-5-6-7-25-26-9(28(7)4-3-27(6)8)11(30-2,13(18,19)20)14(21,22)23/h5,29H,3-4H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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 453.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-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 167296055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).