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1017781-57-5 | 3-Thiopheneethanamine, α-(trifluoromethyl)-
CAS No: 1017781-57-5 Catalog No: AG0005HR MDL No:MFCD09997754
Product Description
Catalog Number:
AG0005HR
Chemical Name:
3-Thiopheneethanamine, α-(trifluoromethyl)-
CAS Number:
1017781-57-5
Molecular Formula:
C7H8F3NS
Molecular Weight:
195.2053
MDL Number:
MFCD09997754
IUPAC Name:
1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
InChI:
InChI=1S/C7H8F3NS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6H,3,11H2
InChI Key:
JZIOYEJXMKNDLL-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)Cc1cscc1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.203g/mol
Monoisotopic Mass:
195.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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