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

5,5-difluoro-3,3-dimethylpentanoic acid

CAS No.:
2026374-42-3
Catalog Number:
AG01BUBO
Molecular Formula:
C7H12F2O2
Molecular Weight:
166.1658
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Product Description
Catalog Number:
AG01BUBO
Chemical Name:
5,5-difluoro-3,3-dimethylpentanoic acid
CAS Number:
2026374-42-3
Molecular Formula:
C7H12F2O2
Molecular Weight:
166.1658
MDL Number:
MFCD30724348
IUPAC Name:
5,5-difluoro-3,3-dimethylpentanoic acid
InChI:
InChI=1S/C7H12F2O2/c1-7(2,3-5(8)9)4-6(10)11/h5H,3-4H2,1-2H3,(H,10,11)
InChI Key:
XPBUMYPXCRUPEH-UHFFFAOYSA-N
SMILES:
FC(CC(CC(=O)O)(C)C)F
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.081g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.168g/mol
Monoisotopic Mass:
166.081g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties