2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride

C4H2F6O4S — CID 158427850

IUPAC2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride
SMILESO=C(F)C(F)(OCS(=O)(=O)F)C(F)(F)F
InChIInChI=1S/C4H2F6O4S/c5-2(11)3(6,4(7,8)9)14-1-15(10,12)13/h1H2
InChIKeyUVXNQHZSSYPJSB-UHFFFAOYSA-N
MW260.11 g/mol
LogP0.98
Rot. Bonds4

About 2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride

2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride (PubChem CID 158427850) has the molecular formula C4H2F6O4S and a molecular weight of 260.11 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride
PubChem CID158427850
Molecular FormulaC4H2F6O4S
Molecular Weight260.11 g/mol
Exact Mass259.96
IUPAC Name2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride
SMILESO=C(F)C(F)(OCS(=O)(=O)F)C(F)(F)F
InChIInChI=1S/C4H2F6O4S/c5-2(11)3(6,4(7,8)9)14-1-15(10,12)13/h1H2
InChIKeyUVXNQHZSSYPJSB-UHFFFAOYSA-N
XLogP0.98
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
CID 59008596
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
CID 98110115
2-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxy-2,3,3,3-tetrafluoropropanoyl fluoride
CID 175734920
2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propanoyl fluoride
CID 11696776
(2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride
CID 98454810
2,2,3,3,4,4-hexafluoro-4-(1,1,1,2,3-pentafluoro-3-oxopropan-2-yl)oxybutanoyl fluoride
CID 11256917
2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride
CID 98047876
CID 14687560
CID 14687560
2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride
CID 134926549
1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride
CID 158258540
2-ethoxy-2,3,3,3-tetrafluoropropanamide
CID 2802176
(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
CID 99647678

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride (CID 158427850) is 2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride is O=C(F)C(F)(OCS(=O)(=O)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride?
The InChIKey is UVXNQHZSSYPJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O4S/c5-2(11)3(6,4(7,8)9)14-1-15(10,12)13/h1H2.
What are the key properties of 2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride?
2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride has a molecular weight of 260.11 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride is sourced from PubChem (CID 158427850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).