(1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol

C7H11F3O6 — CID 68595246

IUPAC(1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol
SMILESOC1[C@@H](O)[C@H](O)C(OC(F)(F)F)[C@H](O)[C@H]1O
InChIInChI=1S/C7H11F3O6/c8-7(9,10)16-6-4(14)2(12)1(11)3(13)5(6)15/h1-6,11-15H/t1?,2-,3+,4+,5-,6?
InChIKeyWUXBIDJUBCZUDO-UYSNGIAKSA-N
MW248.15 g/mol
LogP-2.29
Rot. Bonds1

About (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol

(1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol (PubChem CID 68595246) has the molecular formula C7H11F3O6 and a molecular weight of 248.15 g/mol. Its IUPAC name is (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol
PubChem CID68595246
Molecular FormulaC7H11F3O6
Molecular Weight248.15 g/mol
Exact Mass248.05
IUPAC Name(1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol
SMILESOC1[C@@H](O)[C@H](O)C(OC(F)(F)F)[C@H](O)[C@H]1O
InChIInChI=1S/C7H11F3O6/c8-7(9,10)16-6-4(14)2(12)1(11)3(13)5(6)15/h1-6,11-15H/t1?,2-,3+,4+,5-,6?
InChIKeyWUXBIDJUBCZUDO-UYSNGIAKSA-N
XLogP-2.29
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 5-2.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol 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 (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol (CID 68595246) is (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol is OC1[C@@H](O)[C@H](O)C(OC(F)(F)F)[C@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol?
The InChIKey is WUXBIDJUBCZUDO-UYSNGIAKSA-N. The full InChI is InChI=1S/C7H11F3O6/c8-7(9,10)16-6-4(14)2(12)1(11)3(13)5(6)15/h1-6,11-15H/t1?,2-,3+,4+,5-,6?.
What are the key properties of (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol?
(1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol has a molecular weight of 248.15 g/mol, XLogP of -2.29, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 68595246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).