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Home > Fluorides > 1365969-02-3
1365969-02-3 | 2-Butyl-2-trifluoromethyl-hexanoic acid
CAS No: 1365969-02-3 Catalog No: AG01FCCD MDL No:MFCD21602118
Product Description
Catalog Number:
AG01FCCD
Chemical Name:
2-Butyl-2-trifluoromethyl-hexanoic acid
CAS Number:
1365969-02-3
Molecular Formula:
C11H19F3O2
Molecular Weight:
240.2626
MDL Number:
MFCD21602118
IUPAC Name:
2-butyl-2-(trifluoromethyl)hexanoic acid
InChI:
InChI=1S/C11H19F3O2/c1-3-5-7-10(9(15)16,8-6-4-2)11(12,13)14/h3-8H2,1-2H3,(H,15,16)
InChI Key:
FVWOIZXIHQTMQJ-UHFFFAOYSA-N
SMILES:
CCCCC(C(F)(F)F)(C(=O)O)CCCC
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.266g/mol
Monoisotopic Mass:
240.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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