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Home > Fluorides > 1290136-34-3
1290136-34-3 | Piperidine, 4,4-difluoro-1-[[2-(2-phenylethynyl)-5-thiazolyl]methyl]-
CAS No: 1290136-34-3 Catalog No: AG000YRU MDL No:
Product Description
Catalog Number:
AG000YRU
Chemical Name:
Piperidine, 4,4-difluoro-1-[[2-(2-phenylethynyl)-5-thiazolyl]methyl]-
CAS Number:
1290136-34-3
Molecular Formula:
C17H16F2N2S
Molecular Weight:
318.3841
IUPAC Name:
5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-phenylethynyl)-1,3-thiazole
InChI:
InChI=1S/C17H16F2N2S/c18-17(19)8-10-21(11-9-17)13-15-12-20-16(22-15)7-6-14-4-2-1-3-5-14/h1-5,12H,8-11,13H2
InChI Key:
WHOTXOKOEYGEKD-UHFFFAOYSA-N
SMILES:
FC1(F)CCN(CC1)Cc1cnc(s1)C#Cc1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.386g/mol
Monoisotopic Mass:
318.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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