Home Other Building Blocks 6-methyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane

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

CAS No.:
1251270-67-3
Catalog Number:
AG01C1IL
Molecular Formula:
C8H15F3N2
Molecular Weight:
196.2133
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Product Description
Catalog Number:
AG01C1IL
Chemical Name:
6-methyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane
CAS Number:
1251270-67-3
Molecular Formula:
C8H15F3N2
Molecular Weight:
196.2133
MDL Number:
MFCD14690071
IUPAC Name:
6-methyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane
InChI:
InChI=1S/C8H15F3N2/c1-7-4-12-2-3-13(5-7)6-8(9,10)11/h7,12H,2-6H2,1H3
InChI Key:
KLXSUVBLCNNWDK-UHFFFAOYSA-N
SMILES:
CC1CNCCN(C1)CC(F)(F)F
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.119g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.217g/mol
Monoisotopic Mass:
196.119g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties