4-fluorobutane-1-sulfonyl chloride

C4H8ClFO2S — CID 9739

IUPAC4-fluorobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCF
InChIInChI=1S/C4H8ClFO2S/c5-9(7,8)4-2-1-3-6/h1-4H2
InChIKeySAWBBSTVVUPYAY-UHFFFAOYSA-N
MW174.62 g/mol
LogP1.30
Rot. Bonds4

About 4-fluorobutane-1-sulfonyl chloride

4-fluorobutane-1-sulfonyl chloride (PubChem CID 9739) has the molecular formula C4H8ClFO2S and a molecular weight of 174.62 g/mol. Its IUPAC name is 4-fluorobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-fluorobutane-1-sulfonyl chloride
PubChem CID9739
Molecular FormulaC4H8ClFO2S
Molecular Weight174.62 g/mol
Exact Mass173.99
IUPAC Name4-fluorobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCF
InChIInChI=1S/C4H8ClFO2S/c5-9(7,8)4-2-1-3-6/h1-4H2
InChIKeySAWBBSTVVUPYAY-UHFFFAOYSA-N
XLogP1.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.62
LogP ≤ 51.30
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-Butanesulfonyl chloride
CID 75430
Ethanesulfonyl chloride, 2-fluoro-
CID 69806
Butane-2-sulfonyl chloride
CID 2757336
Butanesulfonyl fluoride, 4-fluoro-
CID 12616
3-Fluoropropane-1-sulfonyl chloride
CID 21114841
Hexanesulfonyl chloride, 6-fluoro-
CID 9747
4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
2-Fluoropropane-1-sulfonyl chloride
CID 55263295
3-Fluorocyclobutane-1-sulfonyl chloride
CID 55263297
3-Fluorocyclopentane-1-sulfonyl chloride
CID 55263425
4,4-Difluorobutane-1-sulfonyl chloride
CID 84664402
2-Fluorocyclopentane-1-sulfonyl chloride
CID 119031671

Frequently Asked Questions

What is the IUPAC name of 4-fluorobutane-1-sulfonyl chloride?
The IUPAC name of 4-fluorobutane-1-sulfonyl chloride (CID 9739) is 4-fluorobutane-1-sulfonyl chloride.
What is the SMILES notation for 4-fluorobutane-1-sulfonyl chloride?
The canonical SMILES for 4-fluorobutane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCF.
What is the InChIKey of 4-fluorobutane-1-sulfonyl chloride?
The InChIKey is SAWBBSTVVUPYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClFO2S/c5-9(7,8)4-2-1-3-6/h1-4H2.
What are the key properties of 4-fluorobutane-1-sulfonyl chloride?
4-fluorobutane-1-sulfonyl chloride has a molecular weight of 174.62 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobutane-1-sulfonyl chloride is sourced from PubChem (CID 9739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).