Home Other Building Blocks 5,5,5-trifluoro-3,3-dimethylpentanoic acid

5,5,5-trifluoro-3,3-dimethylpentanoic acid

CAS No.:
1008754-91-3
Catalog Number:
AG01BUBN
Molecular Formula:
C7H11F3O2
Molecular Weight:
184.1562
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Product Description
Catalog Number:
AG01BUBN
Chemical Name:
5,5,5-trifluoro-3,3-dimethylpentanoic acid
CAS Number:
1008754-91-3
Molecular Formula:
C7H11F3O2
Molecular Weight:
184.1562
MDL Number:
MFCD20657786
IUPAC Name:
5,5,5-trifluoro-3,3-dimethylpentanoic acid
InChI:
InChI=1S/C7H11F3O2/c1-6(2,3-5(11)12)4-7(8,9)10/h3-4H2,1-2H3,(H,11,12)
InChI Key:
LUPNEMLJXBGHET-UHFFFAOYSA-N
SMILES:
OC(=O)CC(CC(F)(F)F)(C)C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.071g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.158g/mol
Monoisotopic Mass:
184.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties