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Home > Fluorides > 1391407-62-7
1391407-62-7 | Pyrrolidine, 2-[4-(trifluoromethyl)phenyl]-, hydrochloride (1:1), (2R)-
CAS No: 1391407-62-7 Catalog No: AG001ADV MDL No:MFCD08751409
Product Description
Catalog Number:
AG001ADV
Chemical Name:
Pyrrolidine, 2-[4-(trifluoromethyl)phenyl]-, hydrochloride (1:1), (2R)-
CAS Number:
1391407-62-7
Molecular Formula:
C11H13ClF3N
Molecular Weight:
251.6758
MDL Number:
MFCD08751409
IUPAC Name:
(2R)-2-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C11H12F3N.ClH/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10;/h3-6,10,15H,1-2,7H2;1H/t10-;/m1./s1
InChI Key:
XHVVDNXOJJAMDE-HNCPQSOCSA-N
SMILES:
FC(c1ccc(cc1)[C@H]1CCCN1)(F)F.Cl
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.677g/mol
Monoisotopic Mass:
251.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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