2-methylprop-2-enoic acid;hydrofluoride

C4H7FO2 — CID 87094643

IUPAC2-methylprop-2-enoic acid;hydrofluoride
SMILESC=C(C)C(=O)O.F
InChIInChI=1S/C4H6O2.FH/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);1H
InChIKeyFPSHNUIITOZNEY-UHFFFAOYSA-N
MW106.10 g/mol
LogP0.80
Rot. Bonds1

About 2-methylprop-2-enoic acid;hydrofluoride

2-methylprop-2-enoic acid;hydrofluoride (PubChem CID 87094643) has the molecular formula C4H7FO2 and a molecular weight of 106.10 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;hydrofluoride.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;hydrofluoride
PubChem CID87094643
Molecular FormulaC4H7FO2
Molecular Weight106.10 g/mol
Exact Mass106.04
IUPAC Name2-methylprop-2-enoic acid;hydrofluoride
SMILESC=C(C)C(=O)O.F
InChIInChI=1S/C4H6O2.FH/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);1H
InChIKeyFPSHNUIITOZNEY-UHFFFAOYSA-N
XLogP0.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methacrylic Acid
CID 4093
Zinc, hydroxy(2-methyl-2-propenoato-kappaO)-
CID 113239
Volan
CID 155926059
Ethene;2-methylprop-2-enoic acid
CID 168263
Acrylic acid methacrylic acid
CID 11600707
(E)-3-Fluoro-2-methylacrylic acid
CID 13756991
Azane;2-methylprop-2-enoic acid
CID 13981644
Fluoromethylacrylic acid
CID 18790387
1,1-Difluoroethene;2-methylprop-2-enoic acid
CID 20136200
Fluoro 2-methylprop-2-enoate
CID 21977651
2-Propenoic acid, 2-methyl-, zirconium salt
CID 87064151
CID 87070575
CID 87070575

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;hydrofluoride?
The IUPAC name of 2-methylprop-2-enoic acid;hydrofluoride (CID 87094643) is 2-methylprop-2-enoic acid;hydrofluoride.
What is the SMILES notation for 2-methylprop-2-enoic acid;hydrofluoride?
The canonical SMILES for 2-methylprop-2-enoic acid;hydrofluoride is C=C(C)C(=O)O.F.
What is the InChIKey of 2-methylprop-2-enoic acid;hydrofluoride?
The InChIKey is FPSHNUIITOZNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.FH/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);1H.
What are the key properties of 2-methylprop-2-enoic acid;hydrofluoride?
2-methylprop-2-enoic acid;hydrofluoride has a molecular weight of 106.10 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;hydrofluoride is sourced from PubChem (CID 87094643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).