1-(tert-butoxycarbonyl)-4,4-difluoropiperidine-3-carboxylic acid

1-(tert-butoxycarbonyl)-4,4-difluoropiperidine-3-carboxylic acid

CAS: 1303974-65-3

Formula: C11H17F2NO4

SMILES: CC(C)(C)OC(=O)N1CCC(F)(F)C(C1)C(O)=O

IUPAC: 1-[(tert-butoxy)carbonyl]-4,4-difluoropiperidine-3-carboxylic acid

InChI: InChI=1/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-11(12,13)7(6-14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)

Composition: C (49.81%), H (6.46%), F (14.32%), N (5.28%), O (24.13%)

Molar Mass: 265.257

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	265.112564357
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OEXVKTNKFKHQQQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.68
Topological Polar Surface Area	66.84
Polarizability	22.45
Ring Count	1
Rotatable Bond Count	3

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