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methyl 2-cyclopentyl-2-{[3-(trifluoromethyl)phenyl]carbamoyl}acetate

methyl 2-cyclopentyl-2-{[3-(trifluoromethyl)phenyl]carbamoyl}acetate

Formula: C16H18F3NO3

SMILES: COC(=O)C(C1CCCC1)C(=O)NC1=CC=CC(=C1)C(F)(F)F

IUPAC: methyl 2-cyclopentyl-2-{[3-(trifluoromethyl)phenyl]carbamoyl}acetate

InChI: InChI=1/C16H18F3NO3/c1-23-15(22)13(10-5-2-3-6-10)14(21)20-12-8-4-7-11(9-12)16(17,18)19/h4,7-10,13H,2-3,5-6H2,1H3,(H,20,21)

Composition: C (58.36%), H (5.51%), F (17.31%), N (4.25%), O (14.57%)

Molar Mass: 329.319

Atom Count: 41

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 329.123877933
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CUEAQSJGBVEBKG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.13
Topological Polar Surface Area 55.4
Polarizability 29.31
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H18F3NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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