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886506-75-8 | Pyrrolidin-3-yl-(3-trifluoromethyl-phenyl)-amine
CAS No: 886506-75-8 Catalog No: AG01F9NW MDL No:
Product Description
Catalog Number:
AG01F9NW
Chemical Name:
Pyrrolidin-3-yl-(3-trifluoromethyl-phenyl)-amine
CAS Number:
886506-75-8
Molecular Formula:
C11H13F3N2
Molecular Weight:
230.2295
IUPAC Name:
N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
InChI:
InChI=1S/C11H13F3N2/c12-11(13,14)8-2-1-3-9(6-8)16-10-4-5-15-7-10/h1-3,6,10,15-16H,4-5,7H2
InChI Key:
DMVUUNJOQCZRGM-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)NC1CNCC1)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.234g/mol
Monoisotopic Mass:
230.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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