(3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride

C5H9FO4S — CID 130915436

IUPAC(3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride
SMILESCO[C@H]1COC[C@H]1S(=O)(=O)F
InChIInChI=1S/C5H9FO4S/c1-9-4-2-10-3-5(4)11(6,7)8/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyGOUJURCUIDJLCN-CRCLSJGQSA-N
MW184.19 g/mol
LogP-0.30
Rot. Bonds2

About (3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride

(3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride (PubChem CID 130915436) has the molecular formula C5H9FO4S and a molecular weight of 184.19 g/mol. Its IUPAC name is (3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride.

Molecular Properties

Compound Name(3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride
PubChem CID130915436
Molecular FormulaC5H9FO4S
Molecular Weight184.19 g/mol
Exact Mass184.02
IUPAC Name(3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride
SMILESCO[C@H]1COC[C@H]1S(=O)(=O)F
InChIInChI=1S/C5H9FO4S/c1-9-4-2-10-3-5(4)11(6,7)8/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyGOUJURCUIDJLCN-CRCLSJGQSA-N
XLogP-0.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride?
The IUPAC name of (3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride (CID 130915436) is (3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride.
What is the SMILES notation for (3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride?
The canonical SMILES for (3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride is CO[C@H]1COC[C@H]1S(=O)(=O)F.
What is the InChIKey of (3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride?
The InChIKey is GOUJURCUIDJLCN-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9FO4S/c1-9-4-2-10-3-5(4)11(6,7)8/h4-5H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride?
(3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride has a molecular weight of 184.19 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methoxyoxolane-3-sulfonyl fluoride is sourced from PubChem (CID 130915436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).