methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate

C8H11F3O3 — CID 124745641

IUPACmethyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](C)O[C@H]1C(F)(F)F
InChIInChI=1S/C8H11F3O3/c1-4-3-5(7(12)13-2)6(14-4)8(9,10)11/h4-6H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyHFYBCNXFHPLOBR-HSUXUTPPSA-N
MW212.17 g/mol
LogP1.52
Rot. Bonds1

About methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate

methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate (PubChem CID 124745641) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate
PubChem CID124745641
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Namemethyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](C)O[C@H]1C(F)(F)F
InChIInChI=1S/C8H11F3O3/c1-4-3-5(7(12)13-2)6(14-4)8(9,10)11/h4-6H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyHFYBCNXFHPLOBR-HSUXUTPPSA-N
XLogP1.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
CID 121226767
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CID 124676353
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
(1S,4S)-4-methoxycarbonyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 138633499
methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate
CID 167738922
CID 89108103
CID 89108103
cis-methyl (1S,2R)-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 129381648
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
dimethyl 4-tert-butylcyclopentane-1,2-dicarboxylate
CID 545084
methyl (3R,4S,6R)-3,4-dihydroxy-6-methyloxane-2-carboxylate
CID 145108334

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate?
The IUPAC name of methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate (CID 124745641) is methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate.
What is the SMILES notation for methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate?
The canonical SMILES for methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate is COC(=O)[C@@H]1C[C@@H](C)O[C@H]1C(F)(F)F.
What is the InChIKey of methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate?
The InChIKey is HFYBCNXFHPLOBR-HSUXUTPPSA-N. The full InChI is InChI=1S/C8H11F3O3/c1-4-3-5(7(12)13-2)6(14-4)8(9,10)11/h4-6H,3H2,1-2H3/t4-,5-,6-/m1/s1.
What are the key properties of methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate?
methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate has a molecular weight of 212.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate is sourced from PubChem (CID 124745641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).