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Molecule
Fluoroacetic Acid
CAS: 144-49-0 · C2H3FO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 144-49-0
- Molecular Formula
- C2H3FO2
- Molecular Mass
- 78.04 g/mol
Identifiers
CAS Registry Number
144-49-0
SMILES
O=C(O)CF
InChI Key
QEWYKACRFQMRMB-UHFFFAOYSA-N
InChI
InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)
Names and Synonyms
- Fluoroacetic Acid Common Name
- Acetic acid, 2-fluoro- Synonym
- Acetic acid, fluoro- Synonym
- 2-Fluoroacetic acid Synonym
- Cymonic acid Synonym
- Fluoroacetic acid Synonym
- Fluoroethanoic acid Synonym
- Gifblaar poison Synonym
- HFA Synonym
- Monofluoroacetic acid Synonym
- α-Fluoroacetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 78.04 g/mol | CAS Common Chemistry |
| 78.042 g/mol | RDKit | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.3693 g/cm3 @ 36 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluoroacetic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CF | CAS Common Chemistry |
| InChI | InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=QEWYKACRFQMRMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35.2 °C | CAS Common Chemistry |
| Name | Fluoroacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.040500000000000036 | RDKit |
| 0.0405 | RDKit | |
| Molar Refractivity | 13.610800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 78.011707556 g/mol | RDKit |
| Boiling Point | 165 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 78.04 g/mol; density = 1.370 g/mL. Edit any field — others recompute live.
