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

C3ClF7O3S — CID 24977571

IUPAC2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane
SMILESO=S(=O)(Cl)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3ClF7O3S/c4-15(12,13)14-1(5,2(6,7)8)3(9,10)11
InChIKeyAZPDNVKOPLMPIT-UHFFFAOYSA-N
MW284.54 g/mol
LogP2.28
Rot. Bonds2

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

2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane (PubChem CID 24977571) has the molecular formula C3ClF7O3S and a molecular weight of 284.54 g/mol. Its IUPAC name is 2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane
PubChem CID24977571
Molecular FormulaC3ClF7O3S
Molecular Weight284.54 g/mol
Exact Mass283.91
IUPAC Name2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane
SMILESO=S(=O)(Cl)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3ClF7O3S/c4-15(12,13)14-1(5,2(6,7)8)3(9,10)11
InChIKeyAZPDNVKOPLMPIT-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane?
The IUPAC name of 2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane (CID 24977571) is 2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane?
The canonical SMILES for 2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane is O=S(=O)(Cl)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane?
The InChIKey is AZPDNVKOPLMPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3ClF7O3S/c4-15(12,13)14-1(5,2(6,7)8)3(9,10)11.
What are the key properties of 2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane?
2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane has a molecular weight of 284.54 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 24977571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).