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114676-97-0 | 1-Pyrrolidinecarboxylic acid, 2-(fluoromethyl)-4-hydroxy-, 1,1-dimethylethyl ester, (2R-cis)- (9CI)
CAS No: 114676-97-0 Catalog No: AG000F0S MDL No:MFCD11111133
Product Description
Catalog Number:
AG000F0S
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(fluoromethyl)-4-hydroxy-, 1,1-dimethylethyl ester, (2R-cis)- (9CI)
CAS Number:
114676-97-0
Molecular Formula:
C10H18FNO3
Molecular Weight:
219.2532
MDL Number:
MFCD11111133
IUPAC Name:
tert-butyl (2R,4R)-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-6-8(13)4-7(12)5-11/h7-8,13H,4-6H2,1-3H3/t7-,8-/m1/s1
InChI Key:
MZJMMRVKXQOTDV-HTQZYQBOSA-N
SMILES:
FC[C@H]1C[C@H](CN1C(=O)OC(C)(C)C)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.256g/mol
Monoisotopic Mass:
219.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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