Basic information
- CAS
921623-34-9- Standard SMILES
O=C(O)c1ccc(OCCC(F)(F)F)cc1F- InChIKey
NRYXBLZOILHILQ-UHFFFAOYSA-N- Molecular formula
- C10H8F4O3
- Average molar mass
- 252.16 g/mol
- Monoisotopic mass
- 252.040957
Names & identifiers
- Preferred name
- 2-Fluoro-4-(3,3,3-trifluoropropoxy)benzoic acid
- IUPAC
- 2-fluoro-4-(3,3,3-trifluoropropoxy)benzoic acid
Names & synonyms
921623-34-92-fluoro-4-(3,3,3-trifluoropropoxy)benzoic acidBenzoic acid, 2-fluoro-4-(3,3,3-trifluoropropoxy)-SCHEMBL4369587DTXSID90739539A1-05333
Database identifiers
- CAS
921623-34-9- PubChem CID
- 69019004
- DTXSID
DTXSID90739539
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
2 records
Compound notes
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