(3S,4S)-4-methyloxolane-3-sulfonyl fluoride

C5H9FO3S — CID 130820464

IUPAC(3S,4S)-4-methyloxolane-3-sulfonyl fluoride
SMILESC[C@H]1COC[C@H]1S(=O)(=O)F
InChIInChI=1S/C5H9FO3S/c1-4-2-9-3-5(4)10(6,7)8/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyBFLWGDRXSVOFGW-CRCLSJGQSA-N
MW168.19 g/mol
LogP0.32
Rot. Bonds1

About (3S,4S)-4-methyloxolane-3-sulfonyl fluoride

(3S,4S)-4-methyloxolane-3-sulfonyl fluoride (PubChem CID 130820464) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is (3S,4S)-4-methyloxolane-3-sulfonyl fluoride.

Molecular Properties

Compound Name(3S,4S)-4-methyloxolane-3-sulfonyl fluoride
PubChem CID130820464
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name(3S,4S)-4-methyloxolane-3-sulfonyl fluoride
SMILESC[C@H]1COC[C@H]1S(=O)(=O)F
InChIInChI=1S/C5H9FO3S/c1-4-2-9-3-5(4)10(6,7)8/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyBFLWGDRXSVOFGW-CRCLSJGQSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxolan-3-ylmethanesulfonyl chloride
CID 23000703
3-Furanmethanesulfonyl fluoride, tetrahydro-
CID 50989451
2-(3-Methylbutoxy)ethane-1-sulfonyl chloride
CID 61483450
(3-Fluorooxolan-3-yl)methanesulfonyl chloride
CID 126849355
3-Butoxypropane-1-sulfonyl fluoride
CID 88594421
Methyl (3-fluorooxolan-3-yl)methanesulfonate
CID 175510043
[(3R)-oxolan-3-yl]methanesulfonyl fluoride
CID 98124118
[(3S)-oxolan-3-yl]methanesulfonyl fluoride
CID 98124119
4-Methyloxolane-3-sulfonyl fluoride
CID 130880339
Oxolane-3-sulfonyl fluoride
CID 154578266
3-Ethoxy-2-methylpropane-1-sulfonyl fluoride
CID 165460509
3-Methoxy-2-methylpropane-1-sulfonyl fluoride
CID 165460562

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyloxolane-3-sulfonyl fluoride?
The IUPAC name of (3S,4S)-4-methyloxolane-3-sulfonyl fluoride (CID 130820464) is (3S,4S)-4-methyloxolane-3-sulfonyl fluoride.
What is the SMILES notation for (3S,4S)-4-methyloxolane-3-sulfonyl fluoride?
The canonical SMILES for (3S,4S)-4-methyloxolane-3-sulfonyl fluoride is C[C@H]1COC[C@H]1S(=O)(=O)F.
What is the InChIKey of (3S,4S)-4-methyloxolane-3-sulfonyl fluoride?
The InChIKey is BFLWGDRXSVOFGW-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9FO3S/c1-4-2-9-3-5(4)10(6,7)8/h4-5H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (3S,4S)-4-methyloxolane-3-sulfonyl fluoride?
(3S,4S)-4-methyloxolane-3-sulfonyl fluoride has a molecular weight of 168.19 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyloxolane-3-sulfonyl fluoride is sourced from PubChem (CID 130820464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).