[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol

C7H13FOS — CID 89109116

IUPAC[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol
SMILESC[C@H]1[C@@H](F)[C@H](C)S[C@@H]1CO
InChIInChI=1S/C7H13FOS/c1-4-6(3-9)10-5(2)7(4)8/h4-7,9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1
InChIKeyRFYIBFYNFIADFE-XZBKPIIZSA-N
MW164.24 g/mol
LogP1.46
Rot. Bonds1

About [(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol

[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol (PubChem CID 89109116) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is [(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol
PubChem CID89109116
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol
SMILESC[C@H]1[C@@H](F)[C@H](C)S[C@@H]1CO
InChIInChI=1S/C7H13FOS/c1-4-6(3-9)10-5(2)7(4)8/h4-7,9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1
InChIKeyRFYIBFYNFIADFE-XZBKPIIZSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol?
The IUPAC name of [(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol (CID 89109116) is [(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol?
The canonical SMILES for [(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol is C[C@H]1[C@@H](F)[C@H](C)S[C@@H]1CO.
What is the InChIKey of [(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol?
The InChIKey is RFYIBFYNFIADFE-XZBKPIIZSA-N. The full InChI is InChI=1S/C7H13FOS/c1-4-6(3-9)10-5(2)7(4)8/h4-7,9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1.
What are the key properties of [(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol?
[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol has a molecular weight of 164.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol is sourced from PubChem (CID 89109116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).