2-fluoropropanedioyl difluoride

C3HF3O2 — CID 13319075

IUPAC2-fluoropropanedioyl difluoride
SMILESO=C(F)C(F)C(=O)F
InChIInChI=1S/C3HF3O2/c4-1(2(5)7)3(6)8/h1H
InChIKeySQOBBFFEODAFEM-UHFFFAOYSA-N
MW126.03 g/mol
LogP0.32
Rot. Bonds2

About 2-fluoropropanedioyl difluoride

2-fluoropropanedioyl difluoride (PubChem CID 13319075) has the molecular formula C3HF3O2 and a molecular weight of 126.03 g/mol. Its IUPAC name is 2-fluoropropanedioyl difluoride.

Molecular Properties

Compound Name2-fluoropropanedioyl difluoride
PubChem CID13319075
Molecular FormulaC3HF3O2
Molecular Weight126.03 g/mol
Exact Mass125.99
IUPAC Name2-fluoropropanedioyl difluoride
SMILESO=C(F)C(F)C(=O)F
InChIInChI=1S/C3HF3O2/c4-1(2(5)7)3(6)8/h1H
InChIKeySQOBBFFEODAFEM-UHFFFAOYSA-N
XLogP0.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.03
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropropanedioyl difluoride?
The IUPAC name of 2-fluoropropanedioyl difluoride (CID 13319075) is 2-fluoropropanedioyl difluoride.
What is the SMILES notation for 2-fluoropropanedioyl difluoride?
The canonical SMILES for 2-fluoropropanedioyl difluoride is O=C(F)C(F)C(=O)F.
What is the InChIKey of 2-fluoropropanedioyl difluoride?
The InChIKey is SQOBBFFEODAFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF3O2/c4-1(2(5)7)3(6)8/h1H.
What are the key properties of 2-fluoropropanedioyl difluoride?
2-fluoropropanedioyl difluoride has a molecular weight of 126.03 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropanedioyl difluoride is sourced from PubChem (CID 13319075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).