methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride

C9H13FO3 — CID 3080940

IUPACmethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride
SMILESC=C(C)C(=O)F.C=C(C)C(=O)OC
InChIInChI=1S/C5H8O2.C4H5FO/c1-4(2)5(6)7-3;1-3(2)4(5)6/h1H2,2-3H3;1H2,2H3
InChIKeyRYIBNIWOXVFZGD-UHFFFAOYSA-N
MW188.20 g/mol
LogP1.79
Rot. Bonds2

About methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride

methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride (PubChem CID 3080940) has the molecular formula C9H13FO3 and a molecular weight of 188.20 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride
PubChem CID3080940
Molecular FormulaC9H13FO3
Molecular Weight188.20 g/mol
Exact Mass188.08
IUPAC Namemethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride
SMILESC=C(C)C(=O)F.C=C(C)C(=O)OC
InChIInChI=1S/C5H8O2.C4H5FO/c1-4(2)5(6)7-3;1-3(2)4(5)6/h1H2,2-3H3;1H2,2H3
InChIKeyRYIBNIWOXVFZGD-UHFFFAOYSA-N
XLogP1.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride?
The IUPAC name of methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride (CID 3080940) is methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride.
What is the SMILES notation for methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride?
The canonical SMILES for methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride is C=C(C)C(=O)F.C=C(C)C(=O)OC.
What is the InChIKey of methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride?
The InChIKey is RYIBNIWOXVFZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H5FO/c1-4(2)5(6)7-3;1-3(2)4(5)6/h1H2,2-3H3;1H2,2H3.
What are the key properties of methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride?
methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride has a molecular weight of 188.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;2-methylprop-2-enoyl fluoride is sourced from PubChem (CID 3080940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).