Home Other Building Blocks (Z)-1-benzyl-3,3-difluoro-4-(4-fluorobenzylidene)piperidine

(Z)-1-benzyl-3,3-difluoro-4-(4-fluorobenzylidene)piperidine

CAS No.:
2101208-40-4
Catalog Number:
AG01DDK7
Molecular Formula:
C19H18F3N
Molecular Weight:
317.3481
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Product Description
Catalog Number:
AG01DDK7
Chemical Name:
(Z)-1-benzyl-3,3-difluoro-4-(4-fluorobenzylidene)piperidine
CAS Number:
2101208-40-4
Molecular Formula:
C19H18F3N
Molecular Weight:
317.3481
MDL Number:
MFCD31536280
IUPAC Name:
1-benzyl-3,3-difluoro-4-[(4-fluorophenyl)methylidene]piperidine
InChI:
InChI=1S/C19H18F3N/c20-18-8-6-15(7-9-18)12-17-10-11-23(14-19(17,21)22)13-16-4-2-1-3-5-16/h1-9,12H,10-11,13-14H2
InChI Key:
RNZNVIVATGRFME-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)/C=C\1/CCN(CC1(F)F)Cc1ccccc1
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.139g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.355g/mol
Monoisotopic Mass:
317.139g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.3  
Properties