Home Other Building Blocks 1-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine

1-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine

CAS No.:
1152588-11-8
Catalog Number:
AG01BFQ3
Molecular Formula:
C8H9F3N2
Molecular Weight:
190.1657
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Product Description
Catalog Number:
AG01BFQ3
Chemical Name:
1-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
CAS Number:
1152588-11-8
Molecular Formula:
C8H9F3N2
Molecular Weight:
190.1657
MDL Number:
MFCD11101557
IUPAC Name:
3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
InChI:
InChI=1S/C8H9F3N2/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h1-4,13H,5,12H2
InChI Key:
AWZXCDPZJIKNJD-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)NCC(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:
190.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.169g/mol
Monoisotopic Mass:
190.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties