3,3-difluoro-2,2-dimethylbutanoic acid

C6H10F2O2 — CID 19771340

IUPAC3,3-difluoro-2,2-dimethylbutanoic acid
SMILESCC(F)(F)C(C)(C)C(=O)O
InChIInChI=1S/C6H10F2O2/c1-5(2,4(9)10)6(3,7)8/h1-3H3,(H,9,10)
InChIKeyKBPAOLBWGLCGHD-UHFFFAOYSA-N
MW152.14 g/mol
LogP1.75
Rot. Bonds2

About 3,3-difluoro-2,2-dimethylbutanoic acid

3,3-difluoro-2,2-dimethylbutanoic acid (PubChem CID 19771340) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethylbutanoic acid
PubChem CID19771340
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name3,3-difluoro-2,2-dimethylbutanoic acid
SMILESCC(F)(F)C(C)(C)C(=O)O
InChIInChI=1S/C6H10F2O2/c1-5(2,4(9)10)6(3,7)8/h1-3H3,(H,9,10)
InChIKeyKBPAOLBWGLCGHD-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethylbutanoic acid?
The IUPAC name of 3,3-difluoro-2,2-dimethylbutanoic acid (CID 19771340) is 3,3-difluoro-2,2-dimethylbutanoic acid.
What is the SMILES notation for 3,3-difluoro-2,2-dimethylbutanoic acid?
The canonical SMILES for 3,3-difluoro-2,2-dimethylbutanoic acid is CC(F)(F)C(C)(C)C(=O)O.
What is the InChIKey of 3,3-difluoro-2,2-dimethylbutanoic acid?
The InChIKey is KBPAOLBWGLCGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-5(2,4(9)10)6(3,7)8/h1-3H3,(H,9,10).
What are the key properties of 3,3-difluoro-2,2-dimethylbutanoic acid?
3,3-difluoro-2,2-dimethylbutanoic acid has a molecular weight of 152.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethylbutanoic acid is sourced from PubChem (CID 19771340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).