Home Other Building Blocks 1-(2,2,2-trifluoroethyl)-1,4-diazepane

1-(2,2,2-trifluoroethyl)-1,4-diazepane

CAS No.:
926216-03-7
Catalog Number:
AG019MSD
Molecular Formula:
C7H13F3N2
Molecular Weight:
182.1867
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Product Description
Catalog Number:
AG019MSD
Chemical Name:
1-(2,2,2-trifluoroethyl)-1,4-diazepane
CAS Number:
926216-03-7
Molecular Formula:
C7H13F3N2
Molecular Weight:
182.1867
MDL Number:
MFCD09040669
IUPAC Name:
1-(2,2,2-trifluoroethyl)-1,4-diazepane
InChI:
InChI=1S/C7H13F3N2/c8-7(9,10)6-12-4-1-2-11-3-5-12/h11H,1-6H2
InChI Key:
BIHMTOQLCAYODT-UHFFFAOYSA-N
SMILES:
FC(CN1CCNCCC1)(F)F
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.103g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.19g/mol
Monoisotopic Mass:
182.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties