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Home > Fluorides > 113845-68-4
113845-68-4 | Pyrrolidine, 1-[4-(trifluoromethyl)phenyl]-
CAS No: 113845-68-4 Catalog No: AG0009VR MDL No:MFCD16140176
Product Description
Catalog Number:
AG0009VR
Chemical Name:
Pyrrolidine, 1-[4-(trifluoromethyl)phenyl]-
CAS Number:
113845-68-4
Molecular Formula:
C11H12F3N
Molecular Weight:
215.2149
MDL Number:
MFCD16140176
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]pyrrolidine
InChI:
InChI=1S/C11H12F3N/c12-11(13,14)9-3-5-10(6-4-9)15-7-1-2-8-15/h3-6H,1-2,7-8H2
InChI Key:
XAIOGMOTJLWPAJ-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)N1CCCC1)(F)F
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.219g/mol
Monoisotopic Mass:
215.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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