6-fluorohexane-1-sulfonyl chloride

C6H12ClFO2S — CID 9747

IUPAC6-fluorohexane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCCF
InChIInChI=1S/C6H12ClFO2S/c7-11(9,10)6-4-2-1-3-5-8/h1-6H2
InChIKeyIZAKDMYFLAAAGQ-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.08
Rot. Bonds6

About 6-fluorohexane-1-sulfonyl chloride

6-fluorohexane-1-sulfonyl chloride (PubChem CID 9747) has the molecular formula C6H12ClFO2S and a molecular weight of 202.68 g/mol. Its IUPAC name is 6-fluorohexane-1-sulfonyl chloride.

Molecular Properties

Compound Name6-fluorohexane-1-sulfonyl chloride
PubChem CID9747
Molecular FormulaC6H12ClFO2S
Molecular Weight202.68 g/mol
Exact Mass202.02
IUPAC Name6-fluorohexane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCCF
InChIInChI=1S/C6H12ClFO2S/c7-11(9,10)6-4-2-1-3-5-8/h1-6H2
InChIKeyIZAKDMYFLAAAGQ-UHFFFAOYSA-N
XLogP2.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Hexanesulfonyl chloride
CID 84504
Butanesulfonyl chloride, 4-fluoro-
CID 9739
1-Heptanesulfonyl chloride
CID 10878141
1-Hexanesulfonyl fluoride
CID 103340
1-Hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 119684
Hexanesulfonyl fluoride, 6-fluoro-
CID 9748
Pentanesulfonyl fluoride, 5-fluoro-
CID 67797
Cyclohexanesulfonyl chloride
CID 237554
Heptane-4-sulfonyl chloride
CID 62084556
4,4-Difluorocyclohexane-1-sulfonyl chloride
CID 53417588
3-Fluorocyclopentane-1-sulfonyl chloride
CID 55263425
Hexane-3-sulfonyl chloride
CID 55280038

Frequently Asked Questions

What is the IUPAC name of 6-fluorohexane-1-sulfonyl chloride?
The IUPAC name of 6-fluorohexane-1-sulfonyl chloride (CID 9747) is 6-fluorohexane-1-sulfonyl chloride.
What is the SMILES notation for 6-fluorohexane-1-sulfonyl chloride?
The canonical SMILES for 6-fluorohexane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCCCF.
What is the InChIKey of 6-fluorohexane-1-sulfonyl chloride?
The InChIKey is IZAKDMYFLAAAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClFO2S/c7-11(9,10)6-4-2-1-3-5-8/h1-6H2.
What are the key properties of 6-fluorohexane-1-sulfonyl chloride?
6-fluorohexane-1-sulfonyl chloride has a molecular weight of 202.68 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorohexane-1-sulfonyl chloride is sourced from PubChem (CID 9747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).