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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Related Compounds

2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride
CID 102129742
3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride
CID 12585986
2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid
CID 163323950
2,2,3-trifluoro-3-oxopropanoic acid
CID 57488659
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23-tetratetracontafluorotetracosanedioyl difluoride
CID 163363228
2,2,3,3,4,4-hexafluoro-4-(pentafluoro-λ6-sulfanyl)butanoate
CID 171040270
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-(pentafluoro-λ6-sulfanyl)nonanoic acid
CID 139594321
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid
CID 139594170
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
CID 23235156
3-bromo-2,2,3,4,4,4-hexafluorobutanoyl fluoride
CID 12060805
3,3,3-trifluoro-2-oxopropanoyl fluoride
CID 2782444
3-chloro-2,2,3,4,4,4-hexafluorobutanoyl fluoride
CID 12060804

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).