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(4S)-4-benzyl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one

CAS: 1401065-46-0

Formula: C15H16F3NO3

SMILES: FC(F)(F)CCCC(=O)N1[C@@H](CC2=CC=CC=C2)COC1=O

IUPAC: (4S)-4-benzyl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one

InChI: InChI=1S/C15H16F3NO3/c16-15(17,18)8-4-7-13(20)19-12(10-22-14(19)21)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1

Composition: C (57.14%), H (5.12%), F (18.08%), N (4.44%), O (15.22%)

Molar Mass: 315.292

Atom Count: 38

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 315.108227868
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QSGUHOHVMQJOMR-LBPRGKRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.23
Topological Polar Surface Area 46.61
Polarizability 27.53
Ring Count 2
Rotatable Bond Count 6

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