Basic information
- CAS
50632-84-3- Standard SMILES
O=C(O)CCCCNC(=O)C(F)(F)F- InChIKey
JROSMTZIKFXOMM-UHFFFAOYSA-N- Molecular formula
- C7H10F3NO3
- Average molar mass
- 213.15 g/mol
- Monoisotopic mass
- 213.06127767
Names & identifiers
- Preferred name
- 5-((2,2,2-Trifluoroacetyl)amino)pentanoic acid
- IUPAC
- 5-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
Names & synonyms
50632-84-35-[(2,2,2-trifluoroacetyl)amino]pentanoic acid5-((2,2,2-Trifluoroacetyl)amino)pentanoic acidRefChem:2990425-(2,2,2-Trifluoroacetamido)pentanoic acid5-(trifluoroacetamido)pentanoic acidSCHEMBL6152808JROSMTZIKFXOMM-UHFFFAOYSA-NDTXSID301247630Pentanoic acid, 5-trifluoroacetamino-AKOS0052165355-[(Trifluoroacetyl)amino]pentanoic acid #
Show more names
EN300-7173847
Database identifiers
- CAS
50632-84-3- PubChem CID
- 580992
- DTXSID
DTXSID301247630
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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