[(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol

C7H11F3O2 — CID 88976400

IUPAC[(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol
SMILESCC1C[C@@H](C(F)(F)F)[C@@H](CO)O1
InChIInChI=1S/C7H11F3O2/c1-4-2-5(7(8,9)10)6(3-11)12-4/h4-6,11H,2-3H2,1H3/t4?,5-,6-/m1/s1
InChIKeyVTTSELWNWJDMFX-YSLANXFLSA-N
MW184.16 g/mol
LogP1.33
Rot. Bonds1

About [(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol

[(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol (PubChem CID 88976400) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is [(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol
PubChem CID88976400
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name[(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol
SMILESCC1C[C@@H](C(F)(F)F)[C@@H](CO)O1
InChIInChI=1S/C7H11F3O2/c1-4-2-5(7(8,9)10)6(3-11)12-4/h4-6,11H,2-3H2,1H3/t4?,5-,6-/m1/s1
InChIKeyVTTSELWNWJDMFX-YSLANXFLSA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol (CID 88976400) is [(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol is CC1C[C@@H](C(F)(F)F)[C@@H](CO)O1.
What is the InChIKey of [(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol?
The InChIKey is VTTSELWNWJDMFX-YSLANXFLSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-4-2-5(7(8,9)10)6(3-11)12-4/h4-6,11H,2-3H2,1H3/t4?,5-,6-/m1/s1.
What are the key properties of [(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol?
[(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol has a molecular weight of 184.16 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 88976400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).