1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride

C5H10FIO3S — CID 166564306

IUPAC1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride
SMILESCC(CI)OC(C)S(=O)(=O)F
InChIInChI=1S/C5H10FIO3S/c1-4(3-7)10-5(2)11(6,8)9/h4-5H,3H2,1-2H3
InChIKeyRMJTYXJLZMIVOD-UHFFFAOYSA-N
MW296.10 g/mol
LogP1.47
Rot. Bonds4

About 1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride

1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride (PubChem CID 166564306) has the molecular formula C5H10FIO3S and a molecular weight of 296.10 g/mol. Its IUPAC name is 1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride
PubChem CID166564306
Molecular FormulaC5H10FIO3S
Molecular Weight296.10 g/mol
Exact Mass295.94
IUPAC Name1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride
SMILESCC(CI)OC(C)S(=O)(=O)F
InChIInChI=1S/C5H10FIO3S/c1-4(3-7)10-5(2)11(6,8)9/h4-5H,3H2,1-2H3
InChIKeyRMJTYXJLZMIVOD-UHFFFAOYSA-N
XLogP1.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 51.47
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 1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride?
The IUPAC name of 1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride (CID 166564306) is 1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride.
What is the SMILES notation for 1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride?
The canonical SMILES for 1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride is CC(CI)OC(C)S(=O)(=O)F.
What is the InChIKey of 1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride?
The InChIKey is RMJTYXJLZMIVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FIO3S/c1-4(3-7)10-5(2)11(6,8)9/h4-5H,3H2,1-2H3.
What are the key properties of 1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride?
1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride has a molecular weight of 296.10 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodopropan-2-yloxy)ethanesulfonyl fluoride is sourced from PubChem (CID 166564306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).