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831169-66-5 | Butanoic acid, [(3S)-1-(2-fluoroethyl)-3-piperidinyl]methyl ester
CAS No: 831169-66-5 Catalog No: AG005BBT MDL No:
Product Description
Catalog Number:
AG005BBT
Chemical Name:
Butanoic acid, [(3S)-1-(2-fluoroethyl)-3-piperidinyl]methyl ester
CAS Number:
831169-66-5
Molecular Formula:
C12H22FNO2
Molecular Weight:
231.3070
IUPAC Name:
[(3S)-1-(2-fluoroethyl)piperidin-3-yl]methyl butanoate
InChI:
InChI=1S/C12H22FNO2/c1-2-4-12(15)16-10-11-5-3-7-14(9-11)8-6-13/h11H,2-10H2,1H3/t11-/m0/s1
InChI Key:
RMQZYSMOIGZVSU-NSHDSACASA-N
SMILES:
CCCC(=O)OC[C@H]1CCCN(C1)CCF
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.311g/mol
Monoisotopic Mass:
231.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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