butane-1,2,3-trisulfonyl fluoride

C4H7F3O6S3 — CID 87248016

IUPACbutane-1,2,3-trisulfonyl fluoride
SMILESCC(C(CS(=O)(=O)F)S(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C4H7F3O6S3/c1-3(15(6,10)11)4(16(7,12)13)2-14(5,8)9/h3-4H,2H2,1H3
InChIKeySQMVEVYAFODLJR-UHFFFAOYSA-N
MW304.29 g/mol
LogP-0.36
Rot. Bonds5

About butane-1,2,3-trisulfonyl fluoride

butane-1,2,3-trisulfonyl fluoride (PubChem CID 87248016) has the molecular formula C4H7F3O6S3 and a molecular weight of 304.29 g/mol. Its IUPAC name is butane-1,2,3-trisulfonyl fluoride.

Molecular Properties

Compound Namebutane-1,2,3-trisulfonyl fluoride
PubChem CID87248016
Molecular FormulaC4H7F3O6S3
Molecular Weight304.29 g/mol
Exact Mass303.94
IUPAC Namebutane-1,2,3-trisulfonyl fluoride
SMILESCC(C(CS(=O)(=O)F)S(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C4H7F3O6S3/c1-3(15(6,10)11)4(16(7,12)13)2-14(5,8)9/h3-4H,2H2,1H3
InChIKeySQMVEVYAFODLJR-UHFFFAOYSA-N
XLogP-0.36
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of butane-1,2,3-trisulfonyl fluoride?
The IUPAC name of butane-1,2,3-trisulfonyl fluoride (CID 87248016) is butane-1,2,3-trisulfonyl fluoride.
What is the SMILES notation for butane-1,2,3-trisulfonyl fluoride?
The canonical SMILES for butane-1,2,3-trisulfonyl fluoride is CC(C(CS(=O)(=O)F)S(=O)(=O)F)S(=O)(=O)F.
What is the InChIKey of butane-1,2,3-trisulfonyl fluoride?
The InChIKey is SQMVEVYAFODLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O6S3/c1-3(15(6,10)11)4(16(7,12)13)2-14(5,8)9/h3-4H,2H2,1H3.
What are the key properties of butane-1,2,3-trisulfonyl fluoride?
butane-1,2,3-trisulfonyl fluoride has a molecular weight of 304.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3-trisulfonyl fluoride is sourced from PubChem (CID 87248016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).