2-(difluoromethyl)prop-2-enoic acid

C4H4F2O2 — CID 19901870

IUPAC2-(difluoromethyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C(F)F
InChIInChI=1S/C4H4F2O2/c1-2(3(5)6)4(7)8/h3H,1H2,(H,7,8)
InChIKeyVDRAOCRXPYMTPR-UHFFFAOYSA-N
MW122.07 g/mol
LogP0.89
Rot. Bonds2

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

2-(difluoromethyl)prop-2-enoic acid (PubChem CID 19901870) has the molecular formula C4H4F2O2 and a molecular weight of 122.07 g/mol. Its IUPAC name is 2-(difluoromethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(difluoromethyl)prop-2-enoic acid
PubChem CID19901870
Molecular FormulaC4H4F2O2
Molecular Weight122.07 g/mol
Exact Mass122.02
IUPAC Name2-(difluoromethyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C(F)F
InChIInChI=1S/C4H4F2O2/c1-2(3(5)6)4(7)8/h3H,1H2,(H,7,8)
InChIKeyVDRAOCRXPYMTPR-UHFFFAOYSA-N
XLogP0.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.07
LogP ≤ 50.89
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
2-(Trifluoromethyl)acrylic acid
CID 587694
4,4,4-Trifluoro-2-methylenebutanoic acid
CID 19784041
(E)-3-Fluoro-2-methylacrylic acid
CID 13756991
Fluoromethylacrylic acid
CID 18790387
1,1-Difluoroethene;2-methylprop-2-enoic acid
CID 20136200
Trifluormethacrylic acid
CID 55302749
Methacrylic acid-d5
CID 53717209
Hydrofluoride methacrylate
CID 87094643
(1-Hydroxy-2-methylprop-2-enylidene)oxidanium
CID 135028018
3-Fluoro-2-methylprop-2-enoic acid
CID 160657197
(E)-4,4,4-trifluoro-2-methylbut-2-enoic acid
CID 11355601

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)prop-2-enoic acid?
The IUPAC name of 2-(difluoromethyl)prop-2-enoic acid (CID 19901870) is 2-(difluoromethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(difluoromethyl)prop-2-enoic acid?
The canonical SMILES for 2-(difluoromethyl)prop-2-enoic acid is C=C(C(=O)O)C(F)F.
What is the InChIKey of 2-(difluoromethyl)prop-2-enoic acid?
The InChIKey is VDRAOCRXPYMTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O2/c1-2(3(5)6)4(7)8/h3H,1H2,(H,7,8).
What are the key properties of 2-(difluoromethyl)prop-2-enoic acid?
2-(difluoromethyl)prop-2-enoic acid has a molecular weight of 122.07 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)prop-2-enoic acid is sourced from PubChem (CID 19901870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).