butane-1-sulfonyl fluoride

C4H9FO2S — CID 12615

IUPACbutane-1-sulfonyl fluoride
SMILESCCCCS(=O)(=O)F
InChIInChI=1S/C4H9FO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
InChIKeyNHGWSCVQFRCBSV-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.09
Rot. Bonds3

About butane-1-sulfonyl fluoride

butane-1-sulfonyl fluoride (PubChem CID 12615) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is butane-1-sulfonyl fluoride.

Molecular Properties

Compound Namebutane-1-sulfonyl fluoride
PubChem CID12615
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Namebutane-1-sulfonyl fluoride
SMILESCCCCS(=O)(=O)F
InChIInChI=1S/C4H9FO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
InChIKeyNHGWSCVQFRCBSV-UHFFFAOYSA-N
XLogP1.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propyl propane thiosulfonate
CID 529388
1-Butanesulfonyl chloride
CID 75430
Butane-1-sulfonate
CID 3704751
Sodium 1-butanesulfonate
CID 4096517
Ethanesulfonyl fluoride
CID 522584
Butane-2-sulfonyl chloride
CID 2757336
1-Hexanesulfonyl fluoride
CID 103340
Butanesulfonyl fluoride, 4-fluoro-
CID 12616
2-Propanesulfonothioic acid, S-(1-methylethyl) ester
CID 536432
Propane-1-sulfonyl fluoride
CID 13721938
2-Methylbutane-1-sulfonyl fluoride
CID 22935853
2-Methylpropane-1-sulfonyl fluoride
CID 56604709

Frequently Asked Questions

What is the IUPAC name of butane-1-sulfonyl fluoride?
The IUPAC name of butane-1-sulfonyl fluoride (CID 12615) is butane-1-sulfonyl fluoride.
What is the SMILES notation for butane-1-sulfonyl fluoride?
The canonical SMILES for butane-1-sulfonyl fluoride is CCCCS(=O)(=O)F.
What is the InChIKey of butane-1-sulfonyl fluoride?
The InChIKey is NHGWSCVQFRCBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3.
What are the key properties of butane-1-sulfonyl fluoride?
butane-1-sulfonyl fluoride has a molecular weight of 140.18 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1-sulfonyl fluoride is sourced from PubChem (CID 12615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).