3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride

C6H8F2O5S2 — CID 172555851

IUPAC3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)CC=COC=CCS(=O)(=O)F
InChIInChI=1S/C6H8F2O5S2/c7-14(9,10)5-1-3-13-4-2-6-15(8,11)12/h1-4H,5-6H2
InChIKeyCRCFSFADVLHAPD-UHFFFAOYSA-N
MW262.25 g/mol
LogP0.63
Rot. Bonds6

About 3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride

3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride (PubChem CID 172555851) has the molecular formula C6H8F2O5S2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride
PubChem CID172555851
Molecular FormulaC6H8F2O5S2
Molecular Weight262.25 g/mol
Exact Mass261.98
IUPAC Name3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)CC=COC=CCS(=O)(=O)F
InChIInChI=1S/C6H8F2O5S2/c7-14(9,10)5-1-3-13-4-2-6-15(8,11)12/h1-4H,5-6H2
InChIKeyCRCFSFADVLHAPD-UHFFFAOYSA-N
XLogP0.63
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride?
The IUPAC name of 3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride (CID 172555851) is 3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride.
What is the SMILES notation for 3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride?
The canonical SMILES for 3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride is O=S(=O)(F)CC=COC=CCS(=O)(=O)F.
What is the InChIKey of 3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride?
The InChIKey is CRCFSFADVLHAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O5S2/c7-14(9,10)5-1-3-13-4-2-6-15(8,11)12/h1-4H,5-6H2.
What are the key properties of 3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride?
3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride has a molecular weight of 262.25 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorosulfonylprop-1-enoxy)prop-2-ene-1-sulfonyl fluoride is sourced from PubChem (CID 172555851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).