Home Other Building Blocks 4,4-difluoro-3,3-dimethylpentanoic acid

4,4-difluoro-3,3-dimethylpentanoic acid

CAS No.:
2024430-38-2
Catalog Number:
AG01EKWD
Molecular Formula:
C7H12F2O2
Molecular Weight:
166.1658
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Product Description
Catalog Number:
AG01EKWD
Chemical Name:
4,4-difluoro-3,3-dimethylpentanoic acid
CAS Number:
2024430-38-2
Molecular Formula:
C7H12F2O2
Molecular Weight:
166.1658
MDL Number:
MFCD31597930
IUPAC Name:
4,4-difluoro-3,3-dimethylpentanoic acid
InChI:
InChI=1S/C7H12F2O2/c1-6(2,4-5(10)11)7(3,8)9/h4H2,1-3H3,(H,10,11)
InChI Key:
HTPZWHAWGVLSCG-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(F)(F)C)(C)C
Properties
Complexity:
164  
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:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties