[(2S)-3,3-difluorothiolan-2-yl]methanol

C5H8F2OS — CID 71372729

IUPAC[(2S)-3,3-difluorothiolan-2-yl]methanol
SMILESOC[C@@H]1SCCC1(F)F
InChIInChI=1S/C5H8F2OS/c6-5(7)1-2-9-4(5)3-8/h4,8H,1-3H2/t4-/m0/s1
InChIKeyFCVNRFJEJUXTHQ-BYPYZUCNSA-N
MW154.18 g/mol
LogP1.12
Rot. Bonds1

About [(2S)-3,3-difluorothiolan-2-yl]methanol

[(2S)-3,3-difluorothiolan-2-yl]methanol (PubChem CID 71372729) has the molecular formula C5H8F2OS and a molecular weight of 154.18 g/mol. Its IUPAC name is [(2S)-3,3-difluorothiolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-3,3-difluorothiolan-2-yl]methanol
PubChem CID71372729
Molecular FormulaC5H8F2OS
Molecular Weight154.18 g/mol
Exact Mass154.03
IUPAC Name[(2S)-3,3-difluorothiolan-2-yl]methanol
SMILESOC[C@@H]1SCCC1(F)F
InChIInChI=1S/C5H8F2OS/c6-5(7)1-2-9-4(5)3-8/h4,8H,1-3H2/t4-/m0/s1
InChIKeyFCVNRFJEJUXTHQ-BYPYZUCNSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3,3-difluorothiolan-2-yl]methanol?
The IUPAC name of [(2S)-3,3-difluorothiolan-2-yl]methanol (CID 71372729) is [(2S)-3,3-difluorothiolan-2-yl]methanol.
What is the SMILES notation for [(2S)-3,3-difluorothiolan-2-yl]methanol?
The canonical SMILES for [(2S)-3,3-difluorothiolan-2-yl]methanol is OC[C@@H]1SCCC1(F)F.
What is the InChIKey of [(2S)-3,3-difluorothiolan-2-yl]methanol?
The InChIKey is FCVNRFJEJUXTHQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F2OS/c6-5(7)1-2-9-4(5)3-8/h4,8H,1-3H2/t4-/m0/s1.
What are the key properties of [(2S)-3,3-difluorothiolan-2-yl]methanol?
[(2S)-3,3-difluorothiolan-2-yl]methanol has a molecular weight of 154.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3,3-difluorothiolan-2-yl]methanol is sourced from PubChem (CID 71372729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).