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58113-36-3 | 4-(Bis(4-fluorophenyl)methylene)piperidine
CAS No: 58113-36-3 Catalog No: AG0033T6 MDL No:MFCD13192725
Product Description
Catalog Number:
AG0033T6
Chemical Name:
4-(Bis(4-fluorophenyl)methylene)piperidine
CAS Number:
58113-36-3
Molecular Formula:
C18H17F2N
Molecular Weight:
285.3311
MDL Number:
MFCD13192725
IUPAC Name:
4-[bis(4-fluorophenyl)methylidene]piperidine
InChI:
InChI=1S/C18H17F2N/c19-16-5-1-13(2-6-16)18(15-9-11-21-12-10-15)14-3-7-17(20)8-4-14/h1-8,21H,9-12H2
InChI Key:
KNNQGZBGAQFPCY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=C1CCNCC1)c1ccc(cc1)F
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.338g/mol
Monoisotopic Mass:
285.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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