3,3-Difluoro-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
Basic information
- CAS
1039364-78-7- Standard SMILES
O=C(O)C1N(C(=O)C(F)(F)F)CCCC1(F)F- InChIKey
KPRJNVYYIWEUHN-UHFFFAOYSA-N- Molecular formula
- C8H8F5NO3
- Average molar mass
- 261.15 g/mol
- Monoisotopic mass
- 261.04243393
Names & identifiers
- Preferred name
- 3,3-Difluoro-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
- IUPAC
- 3,3-difluoro-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
- English name
- 3,3-Difluoro-1-(Trifluoroacetyl)Piperidine-2-Carboxylic Acid
- Molecular formula
- C8H8F5NO3
- Molecular weight
- 261.15
Names & synonyms
1039364-78-73,3-Difluoro-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid3,3-DIFLUORO-1-(TRIFLUOROACETYL)PIPERIDINE-2-CARBOXYLIC ACIDC8H8F5NO3MFCD28343694AKOS027256034AS-55015CS-0037648W12339F5306603,3-Difluoro-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylicacid2-Piperidinecarboxylic acid, 3,3-difluoro-1-(2,2,2-trifluoroacetyl)-
Show more names
3,3-Difluoro-1-(Trifluoroacetyl)Piperidine-2-Carboxylic Acid(WXC03547)
Database identifiers
- CAS
1039364-78-7- PubChem CID
- 102519213
- Nikkaji
- J2.620.355D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 387.8 · 387.8±42.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 0.86 · 0.86±0.40(Predicted)
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Related reactions
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Compound notes
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