Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate
Basic information
- CAS
4134-44-5- Standard SMILES
CC(C)OC(=N)C(F)(F)F- InChIKey
LANVNMFHLPXVCN-UHFFFAOYSA-N- Molecular formula
- C5H8F3NO
- Average molar mass
- 155.12 g/mol
- Monoisotopic mass
- 155.05579836
Names & identifiers
- Preferred name
- Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate
- IUPAC
- propan-2-yl 2,2,2-trifluoroethanimidate
Names & synonyms
propan-2-yl(1z)-2,2,2-trifluoroethanimidoate4134-44-5propan-2-yl 2,2,2-trifluoroethanimidateNSC82750NCIOpen2_001243SCHEMBL22143239DTXSID90292452LANVNMFHLPXVCN-UHFFFAOYSA-NNSC-82750
Database identifiers
- CAS
4134-44-5- PubChem CID
- 256221
- DTXSID
DTXSID90292452
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
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Compound notes
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