2-(trifluoromethyl)prop-2-enoic acid

C4H3F3O2 — CID 587694

IUPAC2-(trifluoromethyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C(F)(F)F
InChIInChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9)
InChIKeyVLSRKCIBHNJFHA-UHFFFAOYSA-N
MW140.06 g/mol
LogP1.19
Rot. Bonds1

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

2-(trifluoromethyl)prop-2-enoic acid (PubChem CID 587694) has the molecular formula C4H3F3O2 and a molecular weight of 140.06 g/mol. Its IUPAC name is 2-(trifluoromethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)prop-2-enoic acid
PubChem CID587694
Molecular FormulaC4H3F3O2
Molecular Weight140.06 g/mol
Exact Mass140.01
IUPAC Name2-(trifluoromethyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C(F)(F)F
InChIInChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9)
InChIKeyVLSRKCIBHNJFHA-UHFFFAOYSA-N
XLogP1.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 51.19
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

(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
2-(Trifluoromethyl)maleic acid
CID 14492221
2-(Trifluoromethyl)prop-2-enoate
CID 7023093
3,3,4,4,4-Pentafluoro-2-methylidenebutanoic acid
CID 11148186
3,3-Difluoro-2-methylprop-2-enoic acid
CID 13561302
(Z)-2-(trifluoromethyl)but-2-enedioic acid
CID 14492222
3,3,4-Trifluoro-2-methylidenebutanoic acid
CID 19604746
2-(Difluoromethyl)acrylic acid
CID 19901870
3-Fluoro-2-methylprop-2-enoic acid
CID 53660898

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)prop-2-enoic acid?
The IUPAC name of 2-(trifluoromethyl)prop-2-enoic acid (CID 587694) is 2-(trifluoromethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(trifluoromethyl)prop-2-enoic acid?
The canonical SMILES for 2-(trifluoromethyl)prop-2-enoic acid is C=C(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)prop-2-enoic acid?
The InChIKey is VLSRKCIBHNJFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9).
What are the key properties of 2-(trifluoromethyl)prop-2-enoic acid?
2-(trifluoromethyl)prop-2-enoic acid has a molecular weight of 140.06 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)prop-2-enoic acid is sourced from PubChem (CID 587694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).