2-methylidenebutanoyl fluoride

C5H7FO — CID 87587873

IUPAC2-methylidenebutanoyl fluoride
SMILESC=C(CC)C(=O)F
InChIInChI=1S/C5H7FO/c1-3-4(2)5(6)7/h2-3H2,1H3
InChIKeyXXXNIKIHFUJSOK-UHFFFAOYSA-N
MW102.11 g/mol
LogP1.45
Rot. Bonds2

About 2-methylidenebutanoyl fluoride

2-methylidenebutanoyl fluoride (PubChem CID 87587873) has the molecular formula C5H7FO and a molecular weight of 102.11 g/mol. Its IUPAC name is 2-methylidenebutanoyl fluoride.

Molecular Properties

Compound Name2-methylidenebutanoyl fluoride
PubChem CID87587873
Molecular FormulaC5H7FO
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name2-methylidenebutanoyl fluoride
SMILESC=C(CC)C(=O)F
InChIInChI=1S/C5H7FO/c1-3-4(2)5(6)7/h2-3H2,1H3
InChIKeyXXXNIKIHFUJSOK-UHFFFAOYSA-N
XLogP1.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenebutanoyl fluoride?
The IUPAC name of 2-methylidenebutanoyl fluoride (CID 87587873) is 2-methylidenebutanoyl fluoride.
What is the SMILES notation for 2-methylidenebutanoyl fluoride?
The canonical SMILES for 2-methylidenebutanoyl fluoride is C=C(CC)C(=O)F.
What is the InChIKey of 2-methylidenebutanoyl fluoride?
The InChIKey is XXXNIKIHFUJSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO/c1-3-4(2)5(6)7/h2-3H2,1H3.
What are the key properties of 2-methylidenebutanoyl fluoride?
2-methylidenebutanoyl fluoride has a molecular weight of 102.11 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebutanoyl fluoride is sourced from PubChem (CID 87587873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).