[(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol

C7H12F2O2 — CID 58150433

IUPAC[(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)[C@H](C)C1(F)F
InChIInChI=1S/C7H12F2O2/c1-4-6(3-10)11-5(2)7(4,8)9/h4-6,10H,3H2,1-2H3/t4-,5-,6+/m0/s1
InChIKeyGRRIVGUQXAJKEJ-HCWXCVPCSA-N
MW166.17 g/mol
LogP1.04
Rot. Bonds1

About [(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol

[(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol (PubChem CID 58150433) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is [(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol
PubChem CID58150433
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name[(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)[C@H](C)C1(F)F
InChIInChI=1S/C7H12F2O2/c1-4-6(3-10)11-5(2)7(4,8)9/h4-6,10H,3H2,1-2H3/t4-,5-,6+/m0/s1
InChIKeyGRRIVGUQXAJKEJ-HCWXCVPCSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol?
The IUPAC name of [(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol (CID 58150433) is [(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol is C[C@@H]1O[C@H](CO)[C@H](C)C1(F)F.
What is the InChIKey of [(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol?
The InChIKey is GRRIVGUQXAJKEJ-HCWXCVPCSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-4-6(3-10)11-5(2)7(4,8)9/h4-6,10H,3H2,1-2H3/t4-,5-,6+/m0/s1.
What are the key properties of [(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol?
[(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol has a molecular weight of 166.17 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5S)-4,4-difluoro-3,5-dimethyloxolan-2-yl]methanol is sourced from PubChem (CID 58150433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).