2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride

C5F10O4S — CID 134926549

IUPAC2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride
SMILESO=C(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)F
InChIInChI=1S/C5F10O4S/c6-1(16)2(7,20(15,17)18)19-5(13,14)3(8,9)4(10,11)12
InChIKeyHOHTZAXWIVFTLK-UHFFFAOYSA-N
MW346.10 g/mol
LogP2.21
Rot. Bonds5

About 2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride

2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride (PubChem CID 134926549) has the molecular formula C5F10O4S and a molecular weight of 346.10 g/mol. Its IUPAC name is 2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride.

Molecular Properties

Compound Name2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride
PubChem CID134926549
Molecular FormulaC5F10O4S
Molecular Weight346.10 g/mol
Exact Mass345.94
IUPAC Name2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride
SMILESO=C(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)F
InChIInChI=1S/C5F10O4S/c6-1(16)2(7,20(15,17)18)19-5(13,14)3(8,9)4(10,11)12
InChIKeyHOHTZAXWIVFTLK-UHFFFAOYSA-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'}

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Related Compounds

1,1,1,4,4,4-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-oxobutane-2-sulfonyl fluoride
CID 134926635
3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride
CID 11659940
2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
CID 121435395
1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 134925931
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
CID 98110115
1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate
CID 134925930
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl bromide
CID 97290730
(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
lithium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 23719472
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
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid;hydrochloride
CID 88623980
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride?
The IUPAC name of 2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride (CID 134926549) is 2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride.
What is the SMILES notation for 2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride?
The canonical SMILES for 2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride is O=C(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)F.
What is the InChIKey of 2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride?
The InChIKey is HOHTZAXWIVFTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O4S/c6-1(16)2(7,20(15,17)18)19-5(13,14)3(8,9)4(10,11)12.
What are the key properties of 2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride?
2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl 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 2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride is sourced from PubChem (CID 134926549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).