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Home > Fluorides > 1389313-27-2
1389313-27-2 | 2-(2,2,2-Trifluoro-1-phenyl-ethyl)-piperidine
CAS No: 1389313-27-2 Catalog No: AG01FACB MDL No:MFCD22375208
Product Description
Catalog Number:
AG01FACB
Chemical Name:
2-(2,2,2-Trifluoro-1-phenyl-ethyl)-piperidine
CAS Number:
1389313-27-2
Molecular Formula:
C13H16F3N
Molecular Weight:
243.2680
MDL Number:
MFCD22375208
IUPAC Name:
2-(2,2,2-trifluoro-1-phenylethyl)piperidine
InChI:
InChI=1S/C13H16F3N/c14-13(15,16)12(10-6-2-1-3-7-10)11-8-4-5-9-17-11/h1-3,6-7,11-12,17H,4-5,8-9H2
InChI Key:
DWYITFYTKHCOSX-UHFFFAOYSA-N
SMILES:
FC(C(c1ccccc1)C1CCCCN1)(F)F
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.273g/mol
Monoisotopic Mass:
243.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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