Home Other Building Blocks 3,3-difluoro-2,2-dimethylpentanoic acid

3,3-difluoro-2,2-dimethylpentanoic acid

CAS No.:
2090954-33-7
Catalog Number:
AG01B28O
Molecular Formula:
C7H12F2O2
Molecular Weight:
166.1658
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Product Description
Catalog Number:
AG01B28O
Chemical Name:
3,3-difluoro-2,2-dimethylpentanoic acid
CAS Number:
2090954-33-7
Molecular Formula:
C7H12F2O2
Molecular Weight:
166.1658
MDL Number:
MFCD30631641
IUPAC Name:
3,3-difluoro-2,2-dimethylpentanoic acid
InChI:
InChI=1S/C7H12F2O2/c1-4-7(8,9)6(2,3)5(10)11/h4H2,1-3H3,(H,10,11)
InChI Key:
CCFJMGVBSZFNHW-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)O)(C)C)(F)F
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:
2.2  
Properties