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tert-butyl N-[4-fluoro-4-(hydroxymethyl)cyclohexyl]carbamate

tert-butyl N-[4-fluoro-4-(hydroxymethyl)cyclohexyl]carbamate

CAS: 1374654-57-5

Formula: C12H22FNO3

SMILES: CC(C)(C)OC(=O)NC1CCC(F)(CO)CC1

IUPAC: tert-butyl N-[4-fluoro-4-(hydroxymethyl)cyclohexyl]carbamate

InChI: InChI=1S/C12H22FNO3/c1-11(2,3)17-10(16)14-9-4-6-12(13,8-15)7-5-9/h9,15H,4-8H2,1-3H3,(H,14,16)

Composition: C (58.28%), H (8.97%), F (7.68%), N (5.66%), O (19.41%)

Molar Mass: 247.31

Atom Count: 39

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 247.158371735
Formal Charge 0
FSP3 0.92
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey DGZVNFLXPGHEHF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.97
Topological Polar Surface Area 58.56
Polarizability 24.4
Ring Count 1
Rotatable Bond Count 4

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