Basic information
- CAS
790-43-2- Standard SMILES
O=C(OCC(F)(F)C(F)F)c1ccc([N+](=O)[O-])cc1- InChIKey
HHJQNJKUDQXKCH-UHFFFAOYSA-N- Molecular formula
- C10H7F4NO4
- Average molar mass
- 281.16 g/mol
- Monoisotopic mass
- 281.03112035
Names & identifiers
- Preferred name
- 2,2,3,3-Tetrafluoro-1-propanol p-nitrobenzoate
- IUPAC
- 2,2,3,3-tetrafluoropropyl 4-nitrobenzoate
Names & synonyms
2,2,3,3-tetrafluoropropyl 4-nitrobenzoateUNII-16NY7N1JLR16NY7N1JLR2,2,3,3-Tetrafluoro-1-propanol p-nitrobenzoate790-43-21-Propanol, 2,2,3,3-tetrafluoro-, p-nitrobenzoate2,2,3,3-Tetrafluoro-1-propanol p-nitrobenzoate [MI]1-Propanol, 2,2,3,3-tetrafluoro-, 1-(4-nitrobenzoate)DTXSID40229490RefChem:80822DTXCID60151981AKOS024327588
Show more names
1-Propanol, 2,2,3,3-tetrafluoro-, 4-nitrobenzoateQ27251830
Database identifiers
- CAS
790-43-2- PubChem CID
- 4129732
- DTXSID
DTXSID40229490- UNII
- 16NY7N1JLR
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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