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(3S)-3-[(tert-butoxycarbonyl)amino]-4,4,4-trifluorobutanoic acid

(3S)-3-[(tert-butoxycarbonyl)amino]-4,4,4-trifluorobutanoic acid

CAS: 1310680-43-3

Formula: C9H14F3NO4

SMILES: CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(F)(F)F

IUPAC: (3S)-3-{[(tert-butoxy)carbonyl]amino}-4,4,4-trifluorobutanoic acid

InChI: InChI=1S/C9H14F3NO4/c1-8(2,3)17-7(16)13-5(4-6(14)15)9(10,11)12/h5H,4H2,1-3H3,(H,13,16)(H,14,15)/t5-/m0/s1

Composition: C (42.03%), H (5.49%), F (22.16%), N (5.45%), O (24.88%)

Molar Mass: 257.209

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 257.087492424
Formal Charge 0
FSP3 0.78
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey DIEZKLWJBOJOBE-YFKPBYRVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.7
Topological Polar Surface Area 75.63
Polarizability 19.49
Ring Count 0
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1310680-43-3 $221.95-$5,612.00$221.95$327.75$540.50$966.00$1,587.00$5,612.00
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