methyl (2S)-1-benzoyl-4,4-difluoropyrrolidine-2-carboxylate

methyl (2S)-1-benzoyl-4,4-difluoropyrrolidine-2-carboxylate

CAS: 1318130-03-8

Formula: C13H13F2NO3

SMILES: COC(=O)[C@@H]1CC(F)(F)CN1C(=O)C1=CC=CC=C1

IUPAC: methyl (2S)-1-benzoyl-4,4-difluoropyrrolidine-2-carboxylate

InChI: InChI=1S/C13H13F2NO3/c1-19-12(18)10-7-13(14,15)8-16(10)11(17)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1

Composition: C (57.99%), H (4.87%), F (14.11%), N (5.20%), O (17.83%)

Molar Mass: 269.248

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	269.086349609
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KUERUBWEHNZMOM-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.68
Topological Polar Surface Area	46.61
Polarizability	23.85
Ring Count	2
Rotatable Bond Count	3

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