propane-1,2,3-trisulfonyl fluoride

C3H5F3O6S3 — CID 87247796

IUPACpropane-1,2,3-trisulfonyl fluoride
SMILESO=S(=O)(F)CC(CS(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C3H5F3O6S3/c4-13(7,8)1-3(15(6,11)12)2-14(5,9)10/h3H,1-2H2
InChIKeyDFHPXKKGEWUDPK-UHFFFAOYSA-N
MW290.26 g/mol
LogP-0.75
Rot. Bonds5

About propane-1,2,3-trisulfonyl fluoride

propane-1,2,3-trisulfonyl fluoride (PubChem CID 87247796) has the molecular formula C3H5F3O6S3 and a molecular weight of 290.26 g/mol. Its IUPAC name is propane-1,2,3-trisulfonyl fluoride.

Molecular Properties

Compound Namepropane-1,2,3-trisulfonyl fluoride
PubChem CID87247796
Molecular FormulaC3H5F3O6S3
Molecular Weight290.26 g/mol
Exact Mass289.92
IUPAC Namepropane-1,2,3-trisulfonyl fluoride
SMILESO=S(=O)(F)CC(CS(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C3H5F3O6S3/c4-13(7,8)1-3(15(6,11)12)2-14(5,9)10/h3H,1-2H2
InChIKeyDFHPXKKGEWUDPK-UHFFFAOYSA-N
XLogP-0.75
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-trisulfonyl fluoride?
The IUPAC name of propane-1,2,3-trisulfonyl fluoride (CID 87247796) is propane-1,2,3-trisulfonyl fluoride.
What is the SMILES notation for propane-1,2,3-trisulfonyl fluoride?
The canonical SMILES for propane-1,2,3-trisulfonyl fluoride is O=S(=O)(F)CC(CS(=O)(=O)F)S(=O)(=O)F.
What is the InChIKey of propane-1,2,3-trisulfonyl fluoride?
The InChIKey is DFHPXKKGEWUDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O6S3/c4-13(7,8)1-3(15(6,11)12)2-14(5,9)10/h3H,1-2H2.
What are the key properties of propane-1,2,3-trisulfonyl fluoride?
propane-1,2,3-trisulfonyl fluoride has a molecular weight of 290.26 g/mol, XLogP of -0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-trisulfonyl fluoride is sourced from PubChem (CID 87247796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).