Basic information
- CAS
2608913-21-7- Standard SMILES
O=C1CC[C@H](C(F)(F)F)CN1- InChIKey
YRKCLUZAQCBIII-BYPYZUCNSA-N- Molecular formula
- C6H8F3NO
- Average molar mass
- 167.13 g/mol
Names & identifiers
- Preferred name
- (S)-5-(Trifluoromethyl)piperidin-2-one
- IUPAC
- (5S)-5-(trifluoromethyl)piperidin-2-one
- English name
- 2-Piperidinone, 5-(trifluoromethyl)-, (5S)-
- Molecular formula
- C6H8F3NO
- Molecular weight
- 167.13
Names & synonyms
2608913-21-7(5S)-5-(trifluoromethyl)piperidin-2-one(S)-5-(TRIFLUOROMETHYL)PIPERIDIN-2-ONESCHEMBL26664053AT28138(5S)-5-(Trifluoromethyl)-2-piperidinoneDB-389002(S)-5-(Trifluoromethyl)-2-piperidinone5-(trifluoromethyl)-, (5S)-2-Piperidinone2-Piperidinone, 5-(trifluoromethyl)-, (5S)-
Database identifiers
- CAS
2608913-21-7
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 237.6 · 237.6±35.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 15.18 · 15.18±0.40(Predicted)
Chemistry & industry
Suppliers7 total
宁波振岳医药科技有限公司19817745290 · [email protected]
武汉切尔曼生物科技有限公司18986082610 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
武汉切尔曼生物科技有限公司+86-027-81610301 +86-18986082610 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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