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ethyl 1-[(tert-butoxycarbonyl)amino]-4,4-difluorocyclohexane-1-carboxylate

ethyl 1-[(tert-butoxycarbonyl)amino]-4,4-difluorocyclohexane-1-carboxylate

CAS: 1260675-69-1

Formula: C14H23F2NO4

SMILES: CCOC(=O)C1(CCC(F)(F)CC1)NC(=O)OC(C)(C)C

IUPAC: ethyl 1-{[(tert-butoxy)carbonyl]amino}-4,4-difluorocyclohexane-1-carboxylate

InChI: InChI=1S/C14H23F2NO4/c1-5-20-10(18)13(6-8-14(15,16)9-7-13)17-11(19)21-12(2,3)4/h5-9H2,1-4H3,(H,17,19)

Composition: C (54.71%), H (7.54%), F (12.36%), N (4.56%), O (20.82%)

Molar Mass: 307.338

Atom Count: 44

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 307.159514551
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KEMMJCRCZPQHDO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.04
Topological Polar Surface Area 64.63
Polarizability 28.09
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1260675-69-1 $2,640.00-$6,048.00$2,640.00$3,960.00$6,048.00
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