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Home > Fluorides > 1217976-07-2
1217976-07-2 | Piperidine, 3-[4-(trifluoromethyl)phenyl]-, (3S)-
CAS No: 1217976-07-2 Catalog No: AG00161T MDL No:
Product Description
Catalog Number:
AG00161T
Chemical Name:
Piperidine, 3-[4-(trifluoromethyl)phenyl]-, (3S)-
CAS Number:
1217976-07-2
Molecular Formula:
C12H14F3N
Molecular Weight:
229.2415
IUPAC Name:
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine
InChI:
InChI=1S/C12H14F3N/c13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10/h3-6,10,16H,1-2,7-8H2/t10-/m1/s1
InChI Key:
DPGBDWYHWVSZPK-SNVBAGLBSA-N
SMILES:
FC(c1ccc(cc1)[C@@H]1CCCNC1)(F)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
229.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.246g/mol
Monoisotopic Mass:
229.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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