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methyl 2-[(tert-butoxycarbonyl)amino]-4,4-difluoropentanoate

methyl 2-[(tert-butoxycarbonyl)amino]-4,4-difluoropentanoate

CAS: 1260637-00-0

Formula: C11H19F2NO4

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

IUPAC: methyl 2-{[(tert-butoxy)carbonyl]amino}-4,4-difluoropentanoate

InChI: InChI=1/C11H19F2NO4/c1-10(2,3)18-9(16)14-7(8(15)17-5)6-11(4,12)13/h7H,6H2,1-5H3,(H,14,16)

Composition: C (49.43%), H (7.17%), F (14.22%), N (5.24%), O (23.94%)

Molar Mass: 267.273

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 267.128214422
Formal Charge 0
FSP3 0.82
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XDDHRHFKTNUBLQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.42
Topological Polar Surface Area 64.63
Polarizability 23.36
Ring Count 0
Rotatable Bond Count 7

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