1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride

C4H2ClF6IO2S — CID 134992852

IUPAC1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)CI
InChIInChI=1S/C4H2ClF6IO2S/c5-15(13,14)4(10,11)3(8,9)2(6,7)1-12/h1H2
InChIKeyZNKQFPKNLSLRJG-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.85
Rot. Bonds4

About 1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride

1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride (PubChem CID 134992852) has the molecular formula C4H2ClF6IO2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride
PubChem CID134992852
Molecular FormulaC4H2ClF6IO2S
Molecular Weight390.47 g/mol
Exact Mass389.84
IUPAC Name1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)CI
InChIInChI=1S/C4H2ClF6IO2S/c5-15(13,14)4(10,11)3(8,9)2(6,7)1-12/h1H2
InChIKeyZNKQFPKNLSLRJG-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride (CID 134992852) is 1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride is O=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)CI.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride?
The InChIKey is ZNKQFPKNLSLRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF6IO2S/c5-15(13,14)4(10,11)3(8,9)2(6,7)1-12/h1H2.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride?
1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride has a molecular weight of 390.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-4-iodobutane-1-sulfonyl chloride is sourced from PubChem (CID 134992852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).