tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate

tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate

CAS: 1166820-07-0

Formula: C10H18F2N2O2

SMILES: CC(C)(C)OC(=O)N1CCNCC(F)(F)C1

IUPAC: tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate

InChI: InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-4-13-6-10(11,12)7-14/h13H,4-7H2,1-3H3

Composition: C (50.84%), H (7.68%), F (16.08%), N (11.86%), O (13.54%)

Molar Mass: 236.263

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	236.133634154
Formal Charge	0
FSP3	0.9
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QELRSCXQUXCUED-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.11
Topological Polar Surface Area	41.57
Polarizability	21.43
Ring Count	1
Rotatable Bond Count	2

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