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Home > Fluorides > 1004852-72-5
1004852-72-5 | PIPERIDINE, 4-[2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]-
CAS No: 1004852-72-5 Catalog No: AG000239 MDL No:
Product Description
Catalog Number:
AG000239
Chemical Name:
PIPERIDINE, 4-[2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]-
CAS Number:
1004852-72-5
Molecular Formula:
C12H13F4N
Molecular Weight:
247.2319
IUPAC Name:
4-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine
InChI:
InChI=1S/C12H13F4N/c13-11-7-9(12(14,15)16)1-2-10(11)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2
InChI Key:
ZOVVKZZPQMXWED-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1C1CCNCC1)C(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.237g/mol
Monoisotopic Mass:
247.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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