2-(fluoromethyl)prop-2-enoic acid

C4H5FO2 — CID 18790387

IUPAC2-(fluoromethyl)prop-2-enoic acid
SMILESC=C(CF)C(=O)O
InChIInChI=1S/C4H5FO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)
InChIKeyLFRKWTIHOBLWSY-UHFFFAOYSA-N
MW104.08 g/mol
LogP0.60
Rot. Bonds2

About 2-(fluoromethyl)prop-2-enoic acid

2-(fluoromethyl)prop-2-enoic acid (PubChem CID 18790387) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is 2-(fluoromethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(fluoromethyl)prop-2-enoic acid
PubChem CID18790387
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name2-(fluoromethyl)prop-2-enoic acid
SMILESC=C(CF)C(=O)O
InChIInChI=1S/C4H5FO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)
InChIKeyLFRKWTIHOBLWSY-UHFFFAOYSA-N
XLogP0.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.60
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
2-(Trifluoromethyl)acrylic acid
CID 587694
Volan
CID 155926059
Ethene;2-methylprop-2-enoic acid
CID 168263
(E)-3-Fluoro-2-methylacrylic acid
CID 13756991
1,1-Difluoroethene;2-methylprop-2-enoic acid
CID 20136200
2-Propenoic acid, 2-methyl-, zirconium salt
CID 87064151
CID 87070575
CID 87070575
2-Methylprop-2-enoic acid;nickel
CID 87136056
2-Methyl-2-propenoic acid iron salt
CID 87139916
Copper II methacrylate, monohydrate
CID 87172232

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)prop-2-enoic acid?
The IUPAC name of 2-(fluoromethyl)prop-2-enoic acid (CID 18790387) is 2-(fluoromethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(fluoromethyl)prop-2-enoic acid?
The canonical SMILES for 2-(fluoromethyl)prop-2-enoic acid is C=C(CF)C(=O)O.
What is the InChIKey of 2-(fluoromethyl)prop-2-enoic acid?
The InChIKey is LFRKWTIHOBLWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7).
What are the key properties of 2-(fluoromethyl)prop-2-enoic acid?
2-(fluoromethyl)prop-2-enoic acid has a molecular weight of 104.08 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)prop-2-enoic acid is sourced from PubChem (CID 18790387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).