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Home > Fluorides > 141562-01-8
141562-01-8 | 3-Butyn-2-one, 1,1,1-trifluoro-4-(1-methoxycyclohexyl)-
CAS No: 141562-01-8 Catalog No: AG001GLE MDL No:
Product Description
Catalog Number:
AG001GLE
Chemical Name:
3-Butyn-2-one, 1,1,1-trifluoro-4-(1-methoxycyclohexyl)-
CAS Number:
141562-01-8
Molecular Formula:
C11H13F3O2
Molecular Weight:
234.2149
IUPAC Name:
1,1,1-trifluoro-4-(1-methoxycyclohexyl)but-3-yn-2-one
InChI:
InChI=1S/C11H13F3O2/c1-16-10(6-3-2-4-7-10)8-5-9(15)11(12,13)14/h2-4,6-7H2,1H3
InChI Key:
RZBVOKKQSMPFFP-UHFFFAOYSA-N
SMILES:
COC1(CCCCC1)C#CC(=O)C(F)(F)F
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.218g/mol
Monoisotopic Mass:
234.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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