butane-2-sulfonyl fluoride

C4H9FO2S — CID 56604173

IUPACbutane-2-sulfonyl fluoride
SMILESCCC(C)S(=O)(=O)F
InChIInChI=1S/C4H9FO2S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3
InChIKeyCDDJFZMEVWPGCU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.08
Rot. Bonds2

About butane-2-sulfonyl fluoride

butane-2-sulfonyl fluoride (PubChem CID 56604173) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is butane-2-sulfonyl fluoride.

Molecular Properties

Compound Namebutane-2-sulfonyl fluoride
PubChem CID56604173
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Namebutane-2-sulfonyl fluoride
SMILESCCC(C)S(=O)(=O)F
InChIInChI=1S/C4H9FO2S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3
InChIKeyCDDJFZMEVWPGCU-UHFFFAOYSA-N
XLogP1.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze butane-2-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propyl propane thiosulfonate
CID 529388
1-Butanesulfonyl chloride
CID 75430
Butane-1-sulfonate
CID 3704751
1-Butanesulfonyl fluoride
CID 12615
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

Frequently Asked Questions

What is the IUPAC name of butane-2-sulfonyl fluoride?
The IUPAC name of butane-2-sulfonyl fluoride (CID 56604173) is butane-2-sulfonyl fluoride.
What is the SMILES notation for butane-2-sulfonyl fluoride?
The canonical SMILES for butane-2-sulfonyl fluoride is CCC(C)S(=O)(=O)F.
What is the InChIKey of butane-2-sulfonyl fluoride?
The InChIKey is CDDJFZMEVWPGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3.
What are the key properties of butane-2-sulfonyl fluoride?
butane-2-sulfonyl fluoride has a molecular weight of 140.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2-sulfonyl fluoride is sourced from PubChem (CID 56604173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).