2,2-difluoro-4,4-dimethylpentanoic acid

C7H12F2O2 — CID 58468265

IUPAC2,2-difluoro-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(F)(F)C(=O)O
InChIInChI=1S/C7H12F2O2/c1-6(2,3)4-7(8,9)5(10)11/h4H2,1-3H3,(H,10,11)
InChIKeyMGBXWMSICKRISC-UHFFFAOYSA-N
MW166.17 g/mol
LogP2.14
Rot. Bonds2

About 2,2-difluoro-4,4-dimethylpentanoic acid

2,2-difluoro-4,4-dimethylpentanoic acid (PubChem CID 58468265) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2,2-difluoro-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2,2-difluoro-4,4-dimethylpentanoic acid
PubChem CID58468265
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name2,2-difluoro-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(F)(F)C(=O)O
InChIInChI=1S/C7H12F2O2/c1-6(2,3)4-7(8,9)5(10)11/h4H2,1-3H3,(H,10,11)
InChIKeyMGBXWMSICKRISC-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,4-dimethylpentanoic acid?
The IUPAC name of 2,2-difluoro-4,4-dimethylpentanoic acid (CID 58468265) is 2,2-difluoro-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2,2-difluoro-4,4-dimethylpentanoic acid?
The canonical SMILES for 2,2-difluoro-4,4-dimethylpentanoic acid is CC(C)(C)CC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-4,4-dimethylpentanoic acid?
The InChIKey is MGBXWMSICKRISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-6(2,3)4-7(8,9)5(10)11/h4H2,1-3H3,(H,10,11).
What are the key properties of 2,2-difluoro-4,4-dimethylpentanoic acid?
2,2-difluoro-4,4-dimethylpentanoic acid has a molecular weight of 166.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,4-dimethylpentanoic acid is sourced from PubChem (CID 58468265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).