Home Other Building Blocks 2-[4-(trifluoromethyl)phenyl]azepane

2-[4-(trifluoromethyl)phenyl]azepane

CAS No.:
527673-78-5
Catalog Number:
AG01BG4V
Molecular Formula:
C13H16F3N
Molecular Weight:
243.2680
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Product Description
Catalog Number:
AG01BG4V
Chemical Name:
2-[4-(trifluoromethyl)phenyl]azepane
CAS Number:
527673-78-5
Molecular Formula:
C13H16F3N
Molecular Weight:
243.2680
MDL Number:
MFCD05190281
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]azepane
InChI:
InChI=1S/C13H16F3N/c14-13(15,16)11-7-5-10(6-8-11)12-4-2-1-3-9-17-12/h5-8,12,17H,1-4,9H2
InChI Key:
UPODCADCMADPLI-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C1CCCCCN1)(F)F
Properties
Complexity:
231  
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:
1  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties