2-fluoropropanoyl 2-fluoropropanoate

C6H8F2O3 — CID 57174610

IUPAC2-fluoropropanoyl 2-fluoropropanoate
SMILESCC(F)C(=O)OC(=O)C(C)F
InChIInChI=1S/C6H8F2O3/c1-3(7)5(9)11-6(10)4(2)8/h3-4H,1-2H3
InChIKeyJQCVJRNELLRXSB-UHFFFAOYSA-N
MW166.12 g/mol
LogP0.77
Rot. Bonds2

About 2-fluoropropanoyl 2-fluoropropanoate

2-fluoropropanoyl 2-fluoropropanoate (PubChem CID 57174610) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is 2-fluoropropanoyl 2-fluoropropanoate.

Molecular Properties

Compound Name2-fluoropropanoyl 2-fluoropropanoate
PubChem CID57174610
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name2-fluoropropanoyl 2-fluoropropanoate
SMILESCC(F)C(=O)OC(=O)C(C)F
InChIInChI=1S/C6H8F2O3/c1-3(7)5(9)11-6(10)4(2)8/h3-4H,1-2H3
InChIKeyJQCVJRNELLRXSB-UHFFFAOYSA-N
XLogP0.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-fluoropropanamide
CID 129374964
tert-butyl 2-fluoropropanoate
CID 91554233
trifluoromethyl 2-fluoropropanoate
CID 126635608
2,2-difluoroethyl 2-fluoropropanoate
CID 141498564
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
CID 159507124
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
(3R)-3-fluorobutan-2-one
CID 638120
acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate
CID 138487965
alumane;2-fluoropropanoic acid
CID 173229818
[4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate
CID 56608480
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
(2-methyl-3-oxopropanoyl) 2-methyl-3-oxopropanoate
CID 87528718

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropanoyl 2-fluoropropanoate?
The IUPAC name of 2-fluoropropanoyl 2-fluoropropanoate (CID 57174610) is 2-fluoropropanoyl 2-fluoropropanoate.
What is the SMILES notation for 2-fluoropropanoyl 2-fluoropropanoate?
The canonical SMILES for 2-fluoropropanoyl 2-fluoropropanoate is CC(F)C(=O)OC(=O)C(C)F.
What is the InChIKey of 2-fluoropropanoyl 2-fluoropropanoate?
The InChIKey is JQCVJRNELLRXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O3/c1-3(7)5(9)11-6(10)4(2)8/h3-4H,1-2H3.
What are the key properties of 2-fluoropropanoyl 2-fluoropropanoate?
2-fluoropropanoyl 2-fluoropropanoate has a molecular weight of 166.12 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropanoyl 2-fluoropropanoate is sourced from PubChem (CID 57174610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).