(2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane

C3H3ClF3IO3S — CID 98115622

IUPAC(2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane
SMILESO=S(=O)(Cl)OC[C@@H](I)C(F)(F)F
InChIInChI=1S/C3H3ClF3IO3S/c4-12(9,10)11-1-2(8)3(5,6)7/h2H,1H2/t2-/m1/s1
InChIKeyMBMKXUMARAUYHE-UWTATZPHSA-N
MW338.47 g/mol
LogP1.85
Rot. Bonds3

About (2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane

(2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane (PubChem CID 98115622) has the molecular formula C3H3ClF3IO3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane.

Molecular Properties

Compound Name(2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane
PubChem CID98115622
Molecular FormulaC3H3ClF3IO3S
Molecular Weight338.47 g/mol
Exact Mass337.85
IUPAC Name(2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane
SMILESO=S(=O)(Cl)OC[C@@H](I)C(F)(F)F
InChIInChI=1S/C3H3ClF3IO3S/c4-12(9,10)11-1-2(8)3(5,6)7/h2H,1H2/t2-/m1/s1
InChIKeyMBMKXUMARAUYHE-UWTATZPHSA-N
XLogP1.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane?
The IUPAC name of (2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane (CID 98115622) is (2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane.
What is the SMILES notation for (2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane?
The canonical SMILES for (2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane is O=S(=O)(Cl)OC[C@@H](I)C(F)(F)F.
What is the InChIKey of (2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane?
The InChIKey is MBMKXUMARAUYHE-UWTATZPHSA-N. The full InChI is InChI=1S/C3H3ClF3IO3S/c4-12(9,10)11-1-2(8)3(5,6)7/h2H,1H2/t2-/m1/s1.
What are the key properties of (2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane?
(2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane has a molecular weight of 338.47 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane is sourced from PubChem (CID 98115622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).