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Home > Fluorides > 1365988-17-5
1365988-17-5 | 2-Propyl-2-trifluoromethyl-pentanoic acid
CAS No: 1365988-17-5 Catalog No: AG01FBLB MDL No:MFCD21602117
Product Description
Catalog Number:
AG01FBLB
Chemical Name:
2-Propyl-2-trifluoromethyl-pentanoic acid
CAS Number:
1365988-17-5
Molecular Formula:
C9H15F3O2
Molecular Weight:
212.2094
MDL Number:
MFCD21602117
IUPAC Name:
2-propyl-2-(trifluoromethyl)pentanoic acid
InChI:
InChI=1S/C9H15F3O2/c1-3-5-8(6-4-2,7(13)14)9(10,11)12/h3-6H2,1-2H3,(H,13,14)
InChI Key:
QWKVCVIFVDEKIW-UHFFFAOYSA-N
SMILES:
CCCC(C(F)(F)F)(C(=O)O)CCC
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.102g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.212g/mol
Monoisotopic Mass:
212.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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