Home Other Building Blocks N-(prop-2-yn-1-yl)-4-(trifluoromethyl)aniline

N-(prop-2-yn-1-yl)-4-(trifluoromethyl)aniline

CAS No.:
233272-89-4
Catalog Number:
AG01A1F1
Molecular Formula:
C10H8F3N
Molecular Weight:
199.1724
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Product Description
Catalog Number:
AG01A1F1
Chemical Name:
N-(prop-2-yn-1-yl)-4-(trifluoromethyl)aniline
CAS Number:
233272-89-4
Molecular Formula:
C10H8F3N
Molecular Weight:
199.1724
MDL Number:
MFCD16664395
IUPAC Name:
N-prop-2-ynyl-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C10H8F3N/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h1,3-6,14H,7H2
InChI Key:
JYMURXMWDRMJDZ-UHFFFAOYSA-N
SMILES:
C#CCNc1ccc(cc1)C(F)(F)F
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.176g/mol
Monoisotopic Mass:
199.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties