3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane

C3H3ClF4O2S — CID 11481313

IUPAC3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane
SMILESO=S(Cl)OCC(F)(F)C(F)F
InChIInChI=1S/C3H3ClF4O2S/c4-11(9)10-1-3(7,8)2(5)6/h2H,1H2
InChIKeyGCKJFBPFDKPCIF-UHFFFAOYSA-N
MW214.57 g/mol
LogP1.72
Rot. Bonds4

About 3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane

3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane (PubChem CID 11481313) has the molecular formula C3H3ClF4O2S and a molecular weight of 214.57 g/mol. Its IUPAC name is 3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane
PubChem CID11481313
Molecular FormulaC3H3ClF4O2S
Molecular Weight214.57 g/mol
Exact Mass213.95
IUPAC Name3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane
SMILESO=S(Cl)OCC(F)(F)C(F)F
InChIInChI=1S/C3H3ClF4O2S/c4-11(9)10-1-3(7,8)2(5)6/h2H,1H2
InChIKeyGCKJFBPFDKPCIF-UHFFFAOYSA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.57
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane?
The IUPAC name of 3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane (CID 11481313) is 3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane is O=S(Cl)OCC(F)(F)C(F)F.
What is the InChIKey of 3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane?
The InChIKey is GCKJFBPFDKPCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClF4O2S/c4-11(9)10-1-3(7,8)2(5)6/h2H,1H2.
What are the key properties of 3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane?
3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane has a molecular weight of 214.57 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfinyloxy-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 11481313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).