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Home > Fluorides > 1394652-48-2
1394652-48-2 | 4-(4-Trifluoromethyl-piperidin-1-yl)-butyronitrile
CAS No: 1394652-48-2 Catalog No: AG01F91D MDL No:MFCD20821738
Product Description
Catalog Number:
AG01F91D
Chemical Name:
4-(4-Trifluoromethyl-piperidin-1-yl)-butyronitrile
CAS Number:
1394652-48-2
Molecular Formula:
C10H15F3N2
Molecular Weight:
220.2347
MDL Number:
MFCD20821738
IUPAC Name:
4-[4-(trifluoromethyl)piperidin-1-yl]butanenitrile
InChI:
InChI=1S/C10H15F3N2/c11-10(12,13)9-3-7-15(8-4-9)6-2-1-5-14/h9H,1-4,6-8H2
InChI Key:
SKLPHRHEDHFZDD-UHFFFAOYSA-N
SMILES:
N#CCCCN1CCC(CC1)C(F)(F)F
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.119g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.239g/mol
Monoisotopic Mass:
220.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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