(3S,4R)-4-fluorooxolane-3-sulfonyl chloride

C4H6ClFO3S — CID 124709145

IUPAC(3S,4R)-4-fluorooxolane-3-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@H]1COC[C@H]1F
InChIInChI=1S/C4H6ClFO3S/c5-10(7,8)4-2-9-1-3(4)6/h3-4H,1-2H2/t3-,4+/m1/s1
InChIKeyHFRMTYQVLIOYJH-DMTCNVIQSA-N
MW188.61 g/mol
LogP0.29
Rot. Bonds1

About (3S,4R)-4-fluorooxolane-3-sulfonyl chloride

(3S,4R)-4-fluorooxolane-3-sulfonyl chloride (PubChem CID 124709145) has the molecular formula C4H6ClFO3S and a molecular weight of 188.61 g/mol. Its IUPAC name is (3S,4R)-4-fluorooxolane-3-sulfonyl chloride.

Molecular Properties

Compound Name(3S,4R)-4-fluorooxolane-3-sulfonyl chloride
PubChem CID124709145
Molecular FormulaC4H6ClFO3S
Molecular Weight188.61 g/mol
Exact Mass187.97
IUPAC Name(3S,4R)-4-fluorooxolane-3-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@H]1COC[C@H]1F
InChIInChI=1S/C4H6ClFO3S/c5-10(7,8)4-2-9-1-3(4)6/h3-4H,1-2H2/t3-,4+/m1/s1
InChIKeyHFRMTYQVLIOYJH-DMTCNVIQSA-N
XLogP0.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-fluorooxolane-3-sulfonyl chloride?
The IUPAC name of (3S,4R)-4-fluorooxolane-3-sulfonyl chloride (CID 124709145) is (3S,4R)-4-fluorooxolane-3-sulfonyl chloride.
What is the SMILES notation for (3S,4R)-4-fluorooxolane-3-sulfonyl chloride?
The canonical SMILES for (3S,4R)-4-fluorooxolane-3-sulfonyl chloride is O=S(=O)(Cl)[C@H]1COC[C@H]1F.
What is the InChIKey of (3S,4R)-4-fluorooxolane-3-sulfonyl chloride?
The InChIKey is HFRMTYQVLIOYJH-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H6ClFO3S/c5-10(7,8)4-2-9-1-3(4)6/h3-4H,1-2H2/t3-,4+/m1/s1.
What are the key properties of (3S,4R)-4-fluorooxolane-3-sulfonyl chloride?
(3S,4R)-4-fluorooxolane-3-sulfonyl chloride has a molecular weight of 188.61 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-fluorooxolane-3-sulfonyl chloride is sourced from PubChem (CID 124709145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).