3-[(2,2,3,3-Tetrafluoropropoxy)methyl]benzoic acid
Basic information
- CAS
438466-00-3- Standard SMILES
O=C(O)c1cccc(COCC(F)(F)C(F)F)c1- InChIKey
UJRKOQZRAZJBIT-UHFFFAOYSA-N- Molecular formula
- C11H10F4O3
- Average molar mass
- 266.19 g/mol
- Monoisotopic mass
- 266.05660683
Names & identifiers
- Preferred name
- 3-[(2,2,3,3-Tetrafluoropropoxy)methyl]benzoic acid
- IUPAC
- 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoic acid
- English name
- 3-(2,2,3,3-Tetrafluoro-propoxymethyl)-benzoic acid
- Molecular formula
- C11H10F4O3
- Molecular weight
- 266.19
Names & synonyms
3-[(2,2,3,3-tetrafluoropropoxy)methyl]benzoic acid438466-00-33-((2,2,3,3-tetrafluoropropoxy)methyl)benzoic acid3-(2,2,3,3-tetrafluoropropoxymethyl)benzoic acid3-(2,2,3,3-Tetrafluoro-propoxymethyl)-benzoic acidMFCD02253707SMR000072729MLS000088712CHEMBL1451469HMS2462N17NSA46600SBB020141
Show more names
AKOS B006345ART-CHEM-BB B006345Benzoic acid, 3-[(2,2,3,3-tetrafluoropropoxy)methyl]-
STK346676AKOS000307736CS-0262700ST45157590EN300-83531AK-968/41026685SR-010002629383-((2,2,3,3-tetrafluoropropoxy)methyl)benzoicacid
Database identifiers
- CAS
438466-00-3- PubChem CID
- 890988
- ChEMBL
CHEMBL1451469
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 337.4 · 337.4±42.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…