4-fluorobutane-1-sulfonyl fluoride

C4H8F2O2S — CID 12616

IUPAC4-fluorobutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCF
InChIInChI=1S/C4H8F2O2S/c5-3-1-2-4-9(6,7)8/h1-4H2
InChIKeyPXNUJGUIDKQODS-UHFFFAOYSA-N
MW158.17 g/mol
LogP1.04
Rot. Bonds4

About 4-fluorobutane-1-sulfonyl fluoride

4-fluorobutane-1-sulfonyl fluoride (PubChem CID 12616) has the molecular formula C4H8F2O2S and a molecular weight of 158.17 g/mol. Its IUPAC name is 4-fluorobutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-fluorobutane-1-sulfonyl fluoride
PubChem CID12616
Molecular FormulaC4H8F2O2S
Molecular Weight158.17 g/mol
Exact Mass158.02
IUPAC Name4-fluorobutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCF
InChIInChI=1S/C4H8F2O2S/c5-3-1-2-4-9(6,7)8/h1-4H2
InChIKeyPXNUJGUIDKQODS-UHFFFAOYSA-N
XLogP1.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.04
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 fluoride
CID 12615
Butanesulfonyl chloride, 4-fluoro-
CID 9739
Ethanesulfonyl fluoride, 2-fluoro-
CID 68029
Propanesulfonyl fluoride, 3-fluoro-
CID 68033
Hexanesulfonyl fluoride, 6-fluoro-
CID 9748
Pentanesulfonyl fluoride, 5-fluoro-
CID 67797
Butane-1,4-disulfonyl difluoride
CID 14384435
Pentane-1,5-disulfonyl difluoride
CID 126970733
5,5,5-Trifluoropentane-1-sulfonyl chloride
CID 56604710
3-Fluoropropylmethane sulfonate
CID 3029313
5,5,5-Trifluoropentane-1-sulfonate
CID 17888240
3,3,3-Trifluoropropylmethanesulfonate
CID 22253502

Frequently Asked Questions

What is the IUPAC name of 4-fluorobutane-1-sulfonyl fluoride?
The IUPAC name of 4-fluorobutane-1-sulfonyl fluoride (CID 12616) is 4-fluorobutane-1-sulfonyl fluoride.
What is the SMILES notation for 4-fluorobutane-1-sulfonyl fluoride?
The canonical SMILES for 4-fluorobutane-1-sulfonyl fluoride is O=S(=O)(F)CCCCF.
What is the InChIKey of 4-fluorobutane-1-sulfonyl fluoride?
The InChIKey is PXNUJGUIDKQODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O2S/c5-3-1-2-4-9(6,7)8/h1-4H2.
What are the key properties of 4-fluorobutane-1-sulfonyl fluoride?
4-fluorobutane-1-sulfonyl fluoride has a molecular weight of 158.17 g/mol, XLogP of 1.04, 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 fluoride is sourced from PubChem (CID 12616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).