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

C2ClF7OS — CID 102129742

IUPAC2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride
SMILESO=C(Cl)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C2ClF7OS/c3-1(11)2(4,5)12(6,7,8,9)10
InChIKeySNQWJYPYNWKBMG-UHFFFAOYSA-N
MW240.53 g/mol
LogP3.64
Rot. Bonds2

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

2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride (PubChem CID 102129742) has the molecular formula C2ClF7OS and a molecular weight of 240.53 g/mol. Its IUPAC name is 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride.

Molecular Properties

Compound Name2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride
PubChem CID102129742
Molecular FormulaC2ClF7OS
Molecular Weight240.53 g/mol
Exact Mass239.92
IUPAC Name2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride
SMILESO=C(Cl)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C2ClF7OS/c3-1(11)2(4,5)12(6,7,8,9)10
InChIKeySNQWJYPYNWKBMG-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.53
LogP ≤ 53.64
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 chloride?
The IUPAC name of 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride (CID 102129742) is 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride.
What is the SMILES notation for 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride?
The canonical SMILES for 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride is O=C(Cl)C(F)(F)S(F)(F)(F)(F)F.
What is the InChIKey of 2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride?
The InChIKey is SNQWJYPYNWKBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClF7OS/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 chloride?
2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride has a molecular weight of 240.53 g/mol, XLogP of 3.64, 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 chloride is sourced from PubChem (CID 102129742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).