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Home > Fluorides > 1159984-67-4
1159984-67-4 | 4-(4-Trifluoromethyl-piperidin-1-yl)-benzonitrile
CAS No: 1159984-67-4 Catalog No: AG01F96E MDL No:MFCD11038442
Product Description
Catalog Number:
AG01F96E
Chemical Name:
4-(4-Trifluoromethyl-piperidin-1-yl)-benzonitrile
CAS Number:
1159984-67-4
Molecular Formula:
C13H13F3N2
Molecular Weight:
254.2509
MDL Number:
MFCD11038442
IUPAC Name:
4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile
InChI:
InChI=1S/C13H13F3N2/c14-13(15,16)11-5-7-18(8-6-11)12-3-1-10(9-17)2-4-12/h1-4,11H,5-8H2
InChI Key:
CAYUMUSRMTWRCP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCC(CC1)C(F)(F)F
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.256g/mol
Monoisotopic Mass:
254.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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