1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride

C3F8O6S3 — CID 87247701

IUPAC1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(C(F)(F)S(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C3F8O6S3/c4-1(18(9,12)13,2(5,6)19(10,14)15)3(7,8)20(11,16)17
InChIKeyWFKOJIKZWKNUFJ-UHFFFAOYSA-N
MW380.21 g/mol
LogP0.74
Rot. Bonds5

About 1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride

1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride (PubChem CID 87247701) has the molecular formula C3F8O6S3 and a molecular weight of 380.21 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride
PubChem CID87247701
Molecular FormulaC3F8O6S3
Molecular Weight380.21 g/mol
Exact Mass379.87
IUPAC Name1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(C(F)(F)S(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C3F8O6S3/c4-1(18(9,12)13,2(5,6)19(10,14)15)3(7,8)20(11,16)17
InChIKeyWFKOJIKZWKNUFJ-UHFFFAOYSA-N
XLogP0.74
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride?
The IUPAC name of 1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride (CID 87247701) is 1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride.
What is the SMILES notation for 1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride?
The canonical SMILES for 1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(C(F)(F)S(=O)(=O)F)S(=O)(=O)F.
What is the InChIKey of 1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride?
The InChIKey is WFKOJIKZWKNUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8O6S3/c4-1(18(9,12)13,2(5,6)19(10,14)15)3(7,8)20(11,16)17.
What are the key properties of 1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride?
1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride has a molecular weight of 380.21 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoropropane-1,2,3-trisulfonyl fluoride is sourced from PubChem (CID 87247701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).