2-methylprop-2-enoyl fluoride

C4H5FO — CID 3013868

IUPAC2-methylprop-2-enoyl fluoride
SMILESC=C(C)C(=O)F
InChIInChI=1S/C4H5FO/c1-3(2)4(5)6/h1H2,2H3
InChIKeyQPWDDANCLNNEQF-UHFFFAOYSA-N
MW88.08 g/mol
LogP1.06
Rot. Bonds1

About 2-methylprop-2-enoyl fluoride

2-methylprop-2-enoyl fluoride (PubChem CID 3013868) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is 2-methylprop-2-enoyl fluoride.

Molecular Properties

Compound Name2-methylprop-2-enoyl fluoride
PubChem CID3013868
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Name2-methylprop-2-enoyl fluoride
SMILESC=C(C)C(=O)F
InChIInChI=1S/C4H5FO/c1-3(2)4(5)6/h1H2,2H3
InChIKeyQPWDDANCLNNEQF-UHFFFAOYSA-N
XLogP1.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 51.06
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-methylprop-2-enoyl fluoride?
The IUPAC name of 2-methylprop-2-enoyl fluoride (CID 3013868) is 2-methylprop-2-enoyl fluoride.
What is the SMILES notation for 2-methylprop-2-enoyl fluoride?
The canonical SMILES for 2-methylprop-2-enoyl fluoride is C=C(C)C(=O)F.
What is the InChIKey of 2-methylprop-2-enoyl fluoride?
The InChIKey is QPWDDANCLNNEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO/c1-3(2)4(5)6/h1H2,2H3.
What are the key properties of 2-methylprop-2-enoyl fluoride?
2-methylprop-2-enoyl fluoride has a molecular weight of 88.08 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl fluoride is sourced from PubChem (CID 3013868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).