(1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol

C9H11F3O6 — CID 122399414

IUPAC(1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
SMILESCO[C@H]1[C@@H]2OC3O[C@H]1[C@@](O)(C(F)(F)F)[C@@H](O3)[C@@H]2O
InChIInChI=1S/C9H11F3O6/c1-15-4-3-2(13)5-8(14,9(10,11)12)6(4)18-7(16-3)17-5/h2-7,13-14H,1H3/t2-,3-,4+,5+,6-,7?,8-/m1/s1
InChIKeyHYGUQSWCEXJGCN-DYFRRQRXSA-N
MW272.18 g/mol
LogP-0.86
Rot. Bonds1

About (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol

(1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol (PubChem CID 122399414) has the molecular formula C9H11F3O6 and a molecular weight of 272.18 g/mol. Its IUPAC name is (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol.

Molecular Properties

Compound Name(1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
PubChem CID122399414
Molecular FormulaC9H11F3O6
Molecular Weight272.18 g/mol
Exact Mass272.05
IUPAC Name(1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
SMILESCO[C@H]1[C@@H]2OC3O[C@H]1[C@@](O)(C(F)(F)F)[C@@H](O3)[C@@H]2O
InChIInChI=1S/C9H11F3O6/c1-15-4-3-2(13)5-8(14,9(10,11)12)6(4)18-7(16-3)17-5/h2-7,13-14H,1H3/t2-,3-,4+,5+,6-,7?,8-/m1/s1
InChIKeyHYGUQSWCEXJGCN-DYFRRQRXSA-N
XLogP-0.86
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol 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 (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The IUPAC name of (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol (CID 122399414) is (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol.
What is the SMILES notation for (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The canonical SMILES for (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol is CO[C@H]1[C@@H]2OC3O[C@H]1[C@@](O)(C(F)(F)F)[C@@H](O3)[C@@H]2O.
What is the InChIKey of (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The InChIKey is HYGUQSWCEXJGCN-DYFRRQRXSA-N. The full InChI is InChI=1S/C9H11F3O6/c1-15-4-3-2(13)5-8(14,9(10,11)12)6(4)18-7(16-3)17-5/h2-7,13-14H,1H3/t2-,3-,4+,5+,6-,7?,8-/m1/s1.
What are the key properties of (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
(1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol has a molecular weight of 272.18 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol is sourced from PubChem (CID 122399414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).