2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid

C3HF9O2S — CID 163323950

IUPAC2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C3HF9O2S/c4-2(5,1(13)14)3(6,7)15(8,9,10,11)12/h(H,13,14)
InChIKeyMAVYSZKRMGKLQG-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.60
Rot. Bonds3

About 2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid

2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid (PubChem CID 163323950) has the molecular formula C3HF9O2S and a molecular weight of 272.09 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid
PubChem CID163323950
Molecular FormulaC3HF9O2S
Molecular Weight272.09 g/mol
Exact Mass271.96
IUPAC Name2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C3HF9O2S/c4-2(5,1(13)14)3(6,7)15(8,9,10,11)12/h(H,13,14)
InChIKeyMAVYSZKRMGKLQG-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid (CID 163323950) is 2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid is O=C(O)C(F)(F)C(F)(F)S(F)(F)(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid?
The InChIKey is MAVYSZKRMGKLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF9O2S/c4-2(5,1(13)14)3(6,7)15(8,9,10,11)12/h(H,13,14).
What are the key properties of 2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid?
2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid has a molecular weight of 272.09 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-(pentafluoro-λ6-sulfanyl)propanoic acid is sourced from PubChem (CID 163323950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).