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methyl 2-[(tert-butoxycarbonyl)amino]-5,5-difluorohexanoate

methyl 2-[(tert-butoxycarbonyl)amino]-5,5-difluorohexanoate

CAS: 1260637-27-1

Formula: C12H21F2NO4

SMILES: COC(=O)C(CCC(C)(F)F)NC(=O)OC(C)(C)C

IUPAC: methyl 2-{[(tert-butoxy)carbonyl]amino}-5,5-difluorohexanoate

InChI: InChI=1/C12H21F2NO4/c1-11(2,3)19-10(17)15-8(9(16)18-5)6-7-12(4,13)14/h8H,6-7H2,1-5H3,(H,15,17)

Composition: C (51.24%), H (7.53%), F (13.51%), N (4.98%), O (22.75%)

Molar Mass: 281.3

Atom Count: 40

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 281.143864486
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BPVMYUNTPLCRQN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.59
Topological Polar Surface Area 64.63
Polarizability 25.16
Ring Count 0
Rotatable Bond Count 8

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95% <5 Days 1260637-27-1 $3,080.00$3,080.00
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