3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane

C3H3ClF4O3S — CID 15788055

IUPAC3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane
SMILESO=S(=O)(Cl)OCC(F)(F)C(F)F
InChIInChI=1S/C3H3ClF4O3S/c4-12(9,10)11-1-3(7,8)2(5)6/h2H,1H2
InChIKeyUKKBKDXUVHVRBT-UHFFFAOYSA-N
MW230.57 g/mol
LogP1.39
Rot. Bonds4

About 3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane

3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane (PubChem CID 15788055) has the molecular formula C3H3ClF4O3S and a molecular weight of 230.57 g/mol. Its IUPAC name is 3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane
PubChem CID15788055
Molecular FormulaC3H3ClF4O3S
Molecular Weight230.57 g/mol
Exact Mass229.94
IUPAC Name3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane
SMILESO=S(=O)(Cl)OCC(F)(F)C(F)F
InChIInChI=1S/C3H3ClF4O3S/c4-12(9,10)11-1-3(7,8)2(5)6/h2H,1H2
InChIKeyUKKBKDXUVHVRBT-UHFFFAOYSA-N
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.57
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane?
The IUPAC name of 3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane (CID 15788055) is 3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane is O=S(=O)(Cl)OCC(F)(F)C(F)F.
What is the InChIKey of 3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane?
The InChIKey is UKKBKDXUVHVRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClF4O3S/c4-12(9,10)11-1-3(7,8)2(5)6/h2H,1H2.
What are the key properties of 3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane?
3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane has a molecular weight of 230.57 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfonyloxy-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 15788055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).