2,2,3,3-tetrafluoro-4-oxobutanoyl chloride

C4HClF4O2 — CID 154334741

IUPAC2,2,3,3-tetrafluoro-4-oxobutanoyl chloride
SMILESO=CC(F)(F)C(F)(F)C(=O)Cl
InChIInChI=1S/C4HClF4O2/c5-2(11)4(8,9)3(6,7)1-10/h1H
InChIKeyNZEKTBZFQIIEHZ-UHFFFAOYSA-N
MW192.50 g/mol
LogP1.22
Rot. Bonds3

About 2,2,3,3-tetrafluoro-4-oxobutanoyl chloride

2,2,3,3-tetrafluoro-4-oxobutanoyl chloride (PubChem CID 154334741) has the molecular formula C4HClF4O2 and a molecular weight of 192.50 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-oxobutanoyl chloride.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-oxobutanoyl chloride
PubChem CID154334741
Molecular FormulaC4HClF4O2
Molecular Weight192.50 g/mol
Exact Mass191.96
IUPAC Name2,2,3,3-tetrafluoro-4-oxobutanoyl chloride
SMILESO=CC(F)(F)C(F)(F)C(=O)Cl
InChIInChI=1S/C4HClF4O2/c5-2(11)4(8,9)3(6,7)1-10/h1H
InChIKeyNZEKTBZFQIIEHZ-UHFFFAOYSA-N
XLogP1.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.50
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-4-oxobutanoyl chloride?
The IUPAC name of 2,2,3,3-tetrafluoro-4-oxobutanoyl chloride (CID 154334741) is 2,2,3,3-tetrafluoro-4-oxobutanoyl chloride.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-oxobutanoyl chloride?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-oxobutanoyl chloride is O=CC(F)(F)C(F)(F)C(=O)Cl.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-oxobutanoyl chloride?
The InChIKey is NZEKTBZFQIIEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF4O2/c5-2(11)4(8,9)3(6,7)1-10/h1H.
What are the key properties of 2,2,3,3-tetrafluoro-4-oxobutanoyl chloride?
2,2,3,3-tetrafluoro-4-oxobutanoyl chloride has a molecular weight of 192.50 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-oxobutanoyl chloride is sourced from PubChem (CID 154334741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).