butane-1,2,4-trisulfonyl fluoride

C4H7F3O6S3 — CID 87247807

IUPACbutane-1,2,4-trisulfonyl fluoride
SMILESO=S(=O)(F)CCC(CS(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C4H7F3O6S3/c5-14(8,9)2-1-4(16(7,12)13)3-15(6,10)11/h4H,1-3H2
InChIKeyCRSSDYAYSHGRIZ-UHFFFAOYSA-N
MW304.29 g/mol
LogP-0.36
Rot. Bonds6

About butane-1,2,4-trisulfonyl fluoride

butane-1,2,4-trisulfonyl fluoride (PubChem CID 87247807) has the molecular formula C4H7F3O6S3 and a molecular weight of 304.29 g/mol. Its IUPAC name is butane-1,2,4-trisulfonyl fluoride.

Molecular Properties

Compound Namebutane-1,2,4-trisulfonyl fluoride
PubChem CID87247807
Molecular FormulaC4H7F3O6S3
Molecular Weight304.29 g/mol
Exact Mass303.94
IUPAC Namebutane-1,2,4-trisulfonyl fluoride
SMILESO=S(=O)(F)CCC(CS(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C4H7F3O6S3/c5-14(8,9)2-1-4(16(7,12)13)3-15(6,10)11/h4H,1-3H2
InChIKeyCRSSDYAYSHGRIZ-UHFFFAOYSA-N
XLogP-0.36
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Chlorosulfonyl)propane-1-sulfonyl fluoride
CID 75480773
1,2-Ethanedisulfonyl difluoride
CID 20036132
Propane-1,3-disulfonyl difluoride
CID 13721945
Butane-1,4-disulfonyl difluoride
CID 14384435
Pentane-1,5-disulfonyl difluoride
CID 126970733
Ethane-1,1-disulfonyl fluoride
CID 15579786
1,2,2,3,3,4-Hexafluorobutane-1,4-disulfonyl difluoride
CID 14203454
2,2-Difluoropropane-1,3-disulfonyl difluoride
CID 13721949
2-Methylpropane-1,3-disulfonyl fluoride
CID 58122681
3-Oxidoperoxysulfanylpropane-1-sulfonyl fluoride
CID 58852800
3-Fluoropropylsulfonyl(fluorosulfonyl)azanide
CID 59704238
4-Fluorobutylsulfonyl(fluorosulfonyl)azanide
CID 59725448

Frequently Asked Questions

What is the IUPAC name of butane-1,2,4-trisulfonyl fluoride?
The IUPAC name of butane-1,2,4-trisulfonyl fluoride (CID 87247807) is butane-1,2,4-trisulfonyl fluoride.
What is the SMILES notation for butane-1,2,4-trisulfonyl fluoride?
The canonical SMILES for butane-1,2,4-trisulfonyl fluoride is O=S(=O)(F)CCC(CS(=O)(=O)F)S(=O)(=O)F.
What is the InChIKey of butane-1,2,4-trisulfonyl fluoride?
The InChIKey is CRSSDYAYSHGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O6S3/c5-14(8,9)2-1-4(16(7,12)13)3-15(6,10)11/h4H,1-3H2.
What are the key properties of butane-1,2,4-trisulfonyl fluoride?
butane-1,2,4-trisulfonyl fluoride has a molecular weight of 304.29 g/mol, XLogP of -0.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,4-trisulfonyl fluoride is sourced from PubChem (CID 87247807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).