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Home > Fluorides > 114818-11-0
114818-11-0 | 1,3-Dioxane, 2-(4-fluorocyclohexyl)-5-pentyl-
CAS No: 114818-11-0 Catalog No: AG000FBC MDL No:
Product Description
Catalog Number:
AG000FBC
Chemical Name:
1,3-Dioxane, 2-(4-fluorocyclohexyl)-5-pentyl-
CAS Number:
114818-11-0
Molecular Formula:
C15H27FO2
Molecular Weight:
258.3721
IUPAC Name:
2-(4-fluorocyclohexyl)-5-pentyl-1,3-dioxane
InChI:
InChI=1S/C15H27FO2/c1-2-3-4-5-12-10-17-15(18-11-12)13-6-8-14(16)9-7-13/h12-15H,2-11H2,1H3
InChI Key:
QLFJMWRIZLXOBZ-UHFFFAOYSA-N
SMILES:
CCCCCC1COC(OC1)C1CCC(CC1)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.2g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.377g/mol
Monoisotopic Mass:
258.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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