1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane

C3ClF7O3S — CID 24972775

IUPAC1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane
SMILESO=S(=O)(Cl)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3ClF7O3S/c4-15(12,13)14-3(10,11)1(5,6)2(7,8)9
InChIKeyJJEZBMMLIYIXRH-UHFFFAOYSA-N
MW284.54 g/mol
LogP2.28
Rot. Bonds3

About 1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane

1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 24972775) has the molecular formula C3ClF7O3S and a molecular weight of 284.54 g/mol. Its IUPAC name is 1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID24972775
Molecular FormulaC3ClF7O3S
Molecular Weight284.54 g/mol
Exact Mass283.91
IUPAC Name1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane
SMILESO=S(=O)(Cl)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3ClF7O3S/c4-15(12,13)14-3(10,11)1(5,6)2(7,8)9
InChIKeyJJEZBMMLIYIXRH-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.54
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,3-heptafluoropropyl methanesulfonate
CID 87623488
1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane
CID 169224042
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl methyl sulfate
CID 134426835
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl ethanesulfonate
CID 155355131
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl hydrogen sulfate
CID 175164500
sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl ethanesulfonate
CID 175088182
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonyl chloride
CID 22623361
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy sulfamate
CID 91069602
1,1,2,2-tetrafluoro-1,2-bis(fluorosulfonyloxy)ethane
CID 12665878
2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride
CID 134926549
bis(5-chloro-1,1,2,2,3,3,5,5-octafluoropentyl) sulfate
CID 57364022
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylperoxy)heptane
CID 139654060

Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane (CID 24972775) is 1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane is O=S(=O)(Cl)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is JJEZBMMLIYIXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3ClF7O3S/c4-15(12,13)14-3(10,11)1(5,6)2(7,8)9.
What are the key properties of 1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane?
1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 284.54 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 24972775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).