2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride

C2F8OS — CID 23631743

IUPAC2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride
SMILESO=C(F)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C2F8OS/c3-1(11)2(4,5)12(6,7,8,9)10
InChIKeyPYFIJYMNEWKZLK-UHFFFAOYSA-N
MW224.07 g/mol
LogP3.37
Rot. Bonds2

About 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride

2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride (PubChem CID 23631743) has the molecular formula C2F8OS and a molecular weight of 224.07 g/mol. Its IUPAC name is 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride
PubChem CID23631743
Molecular FormulaC2F8OS
Molecular Weight224.07 g/mol
Exact Mass223.95
IUPAC Name2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride
SMILESO=C(F)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C2F8OS/c3-1(11)2(4,5)12(6,7,8,9)10
InChIKeyPYFIJYMNEWKZLK-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride?
The IUPAC name of 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride (CID 23631743) is 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride.
What is the SMILES notation for 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride?
The canonical SMILES for 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride is O=C(F)C(F)(F)S(F)(F)(F)(F)F.
What is the InChIKey of 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride?
The InChIKey is PYFIJYMNEWKZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F8OS/c3-1(11)2(4,5)12(6,7,8,9)10.
What are the key properties of 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride?
2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride has a molecular weight of 224.07 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride is sourced from PubChem (CID 23631743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).