(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride

C5F10O4S — CID 98110115

IUPAC(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
SMILESO=C(F)[C@@](F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F
InChIInChI=1S/C5F10O4S/c6-1(16)2(7,3(8,9)10)19-4(11,12)5(13,14)20(15,17)18/t2-/m1/s1
InChIKeyJJMSFRPBSYTEIN-UWTATZPHSA-N
MW346.10 g/mol
LogP2.21
Rot. Bonds5

About (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride

(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride (PubChem CID 98110115) has the molecular formula C5F10O4S and a molecular weight of 346.10 g/mol. Its IUPAC name is (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride.

Molecular Properties

Compound Name(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
PubChem CID98110115
Molecular FormulaC5F10O4S
Molecular Weight346.10 g/mol
Exact Mass345.94
IUPAC Name(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
SMILESO=C(F)[C@@](F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F
InChIInChI=1S/C5F10O4S/c6-1(16)2(7,3(8,9)10)19-4(11,12)5(13,14)20(15,17)18/t2-/m1/s1
InChIKeyJJMSFRPBSYTEIN-UWTATZPHSA-N
XLogP2.21
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoate
CID 23694417
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
(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
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxyethanesulfonyl fluoride
CID 14687568
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propoxy]propanoyl fluoride
CID 155982267
2,2,3,3,4,4-hexafluoro-4-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3-pentafluoro-3-oxopropan-2-yl)oxypropan-2-yl]oxybutanoyl fluoride
CID 175754670
2-(3-bromopropoxy)propanoic acid;methane;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propanoyl fluoride
CID 157487875
[2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propanoyl] 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propaneperoxoate
CID 141080446
2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride
CID 134926549

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride?
The IUPAC name of (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride (CID 98110115) is (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride.
What is the SMILES notation for (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride?
The canonical SMILES for (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride is O=C(F)[C@@](F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F.
What is the InChIKey of (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride?
The InChIKey is JJMSFRPBSYTEIN-UWTATZPHSA-N. The full InChI is InChI=1S/C5F10O4S/c6-1(16)2(7,3(8,9)10)19-4(11,12)5(13,14)20(15,17)18/t2-/m1/s1.
What are the key properties of (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride?
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride has a molecular weight of 346.10 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride is sourced from PubChem (CID 98110115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).