(4s)-4-(3,4,5-Trifluorophenyl)pyrrolidin-2-one
Basic information
- CAS
2102409-69-6- Standard SMILES
O=C1C[C@@H](c2cc(F)c(F)c(F)c2)CN1- InChIKey
BWUUWAXTSJRLLP-ZCFIWIBFSA-N- Molecular formula
- C10H8F3NO
- Average molar mass
- 215.17 g/mol
- Monoisotopic mass
- 215.05579836
Names & identifiers
- Preferred name
- (4s)-4-(3,4,5-Trifluorophenyl)pyrrolidin-2-one
- IUPAC
- (4S)-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
- English name
- (S)-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
- Molecular formula
- C10H8F3NO
- Molecular weight
- 215.17
Names & synonyms
(4s)-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one2102409-69-6MFCD30749390(S)-4-(3,4,5-Trifluorophenyl)pyrrolidin-2-oneYZ57SD3Q3AAKOS037644554AS-53960SY261090CS-0185260P17339(4S)-4-(3,4,5-Trifluorophenyl)-2-pyrrolidinone4-(3,4,5-Trifluorophenyl)pyrrolidin-2-one, (4S)-
Show more names
2-Pyrrolidinone, 4-(3,4,5-trifluorophenyl)-, (4S)-
Database identifiers
- CAS
2102409-69-6- PubChem CID
- 97030989
- UNII
- YZ57SD3Q3A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 337.8 · 337.8±42.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- 15.49 · 15.49±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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