(2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol

C8H15FO2S — CID 89258018

IUPAC(2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol
SMILESCOC[C@H]1S[C@@H](C)[C@](C)(F)[C@@H]1O
InChIInChI=1S/C8H15FO2S/c1-5-8(2,9)7(10)6(12-5)4-11-3/h5-7,10H,4H2,1-3H3/t5-,6+,7+,8-/m0/s1
InChIKeyUZSCIROWRQAWJZ-OSMVPFSASA-N
MW194.27 g/mol
LogP1.23
Rot. Bonds2

About (2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol

(2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol (PubChem CID 89258018) has the molecular formula C8H15FO2S and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol
PubChem CID89258018
Molecular FormulaC8H15FO2S
Molecular Weight194.27 g/mol
Exact Mass194.08
IUPAC Name(2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol
SMILESCOC[C@H]1S[C@@H](C)[C@](C)(F)[C@@H]1O
InChIInChI=1S/C8H15FO2S/c1-5-8(2,9)7(10)6(12-5)4-11-3/h5-7,10H,4H2,1-3H3/t5-,6+,7+,8-/m0/s1
InChIKeyUZSCIROWRQAWJZ-OSMVPFSASA-N
XLogP1.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol?
The IUPAC name of (2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol (CID 89258018) is (2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol.
What is the SMILES notation for (2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol?
The canonical SMILES for (2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol is COC[C@H]1S[C@@H](C)[C@](C)(F)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol?
The InChIKey is UZSCIROWRQAWJZ-OSMVPFSASA-N. The full InChI is InChI=1S/C8H15FO2S/c1-5-8(2,9)7(10)6(12-5)4-11-3/h5-7,10H,4H2,1-3H3/t5-,6+,7+,8-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol?
(2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol has a molecular weight of 194.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol is sourced from PubChem (CID 89258018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).