2-methyl-3-oxopentanoyl fluoride

C6H9FO2 — CID 174997525

IUPAC2-methyl-3-oxopentanoyl fluoride
SMILESCCC(=O)C(C)C(=O)F
InChIInChI=1S/C6H9FO2/c1-3-5(8)4(2)6(7)9/h4H,3H2,1-2H3
InChIKeyDBWCLMKJIWUMMC-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.10
Rot. Bonds3

About 2-methyl-3-oxopentanoyl fluoride

2-methyl-3-oxopentanoyl fluoride (PubChem CID 174997525) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 2-methyl-3-oxopentanoyl fluoride.

Molecular Properties

Compound Name2-methyl-3-oxopentanoyl fluoride
PubChem CID174997525
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name2-methyl-3-oxopentanoyl fluoride
SMILESCCC(=O)C(C)C(=O)F
InChIInChI=1S/C6H9FO2/c1-3-5(8)4(2)6(7)9/h4H,3H2,1-2H3
InChIKeyDBWCLMKJIWUMMC-UHFFFAOYSA-N
XLogP1.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.10
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-methyl-3-oxopentanoyl fluoride?
The IUPAC name of 2-methyl-3-oxopentanoyl fluoride (CID 174997525) is 2-methyl-3-oxopentanoyl fluoride.
What is the SMILES notation for 2-methyl-3-oxopentanoyl fluoride?
The canonical SMILES for 2-methyl-3-oxopentanoyl fluoride is CCC(=O)C(C)C(=O)F.
What is the InChIKey of 2-methyl-3-oxopentanoyl fluoride?
The InChIKey is DBWCLMKJIWUMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-3-5(8)4(2)6(7)9/h4H,3H2,1-2H3.
What are the key properties of 2-methyl-3-oxopentanoyl fluoride?
2-methyl-3-oxopentanoyl fluoride has a molecular weight of 132.13 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxopentanoyl fluoride is sourced from PubChem (CID 174997525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).