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Home > Fluorides > 1019443-66-3
1019443-66-3 | Piperidine, 2-[[3-(trifluoromethyl)phenoxy]methyl]-
CAS No: 1019443-66-3 Catalog No: AG000613 MDL No:MFCD13272699
Product Description
Catalog Number:
AG000613
Chemical Name:
Piperidine, 2-[[3-(trifluoromethyl)phenoxy]methyl]-
CAS Number:
1019443-66-3
Molecular Formula:
C13H16F3NO
Molecular Weight:
259.2674
MDL Number:
MFCD13272699
IUPAC Name:
2-[[3-(trifluoromethyl)phenoxy]methyl]piperidine
InChI:
InChI=1S/C13H16F3NO/c14-13(15,16)10-4-3-6-12(8-10)18-9-11-5-1-2-7-17-11/h3-4,6,8,11,17H,1-2,5,7,9H2
InChI Key:
WMPHKVGGCCEZHM-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)OCC1CCCCN1)(F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.272g/mol
Monoisotopic Mass:
259.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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