Basic information
- CAS
78433-50-8- Standard SMILES
O=C(Cc1c[nH]c2ccccc12)OCc1c(F)c(F)c(F)c(F)c1F- InChIKey
OAIQWMCDTNKSAT-UHFFFAOYSA-N- Molecular formula
- C17H10F5NO2
- Average molar mass
- 355.26 g/mol
- Monoisotopic mass
- 355.06316937
Names & identifiers
- Preferred name
- Indol-3-acetic acid, PFB
- IUPAC
- (2,3,4,5,6-pentafluorophenyl)methyl 2-(1H-indol-3-yl)acetate
Names & synonyms
HMS1736K1178433-50-8Indol-3-acetic acid, PFBDTXSID00428982OAIQWMCDTNKSAT-UHFFFAOYSA-NAKOS001183317indole-3-acetic acid-pentafluorobenzylester(Pentafluorophenyl)methyl (1H-indol-3-yl)acetateT5468946Z18279856
Database identifiers
- CAS
78433-50-8- PubChem CID
- 7960367
- DTXSID
DTXSID00428982
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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