Home Aminos (1s,3s,4r)-rel-4-(boc-amino)-3-fluorocyclohexanol

(1s,3s,4r)-rel-4-(boc-amino)-3-fluorocyclohexanol

CAS No.:
1268512-47-5
Catalog Number:
AG00HRL6
Molecular Formula:
C11H20FNO3
Molecular Weight:
233.2798
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Product Description
Catalog Number:
AG00HRL6
Chemical Name:
(1s,3s,4r)-rel-4-(boc-amino)-3-fluorocyclohexanol
CAS Number:
1268512-47-5
Molecular Formula:
C11H20FNO3
Molecular Weight:
233.2798
IUPAC Name:
tert-butyl N-[(1R,2S,4S)-2-fluoro-4-hydroxycyclohexyl]carbamate
InChI:
InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-9-5-4-7(14)6-8(9)12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8-,9+/m0/s1
InChI Key:
SSJLYZCXMMQWCU-XHNCKOQMSA-N
SMILES:
O[C@H]1CC[C@H]([C@H](C1)F)NC(=O)OC(C)(C)C
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
233.143g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.283g/mol
Monoisotopic Mass:
233.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties