3,3-difluoro-2,2-dimethylpropanoic acid

C5H8F2O2 — CID 19867387

IUPAC3,3-difluoro-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(F)F
InChIInChI=1S/C5H8F2O2/c1-5(2,3(6)7)4(8)9/h3H,1-2H3,(H,8,9)
InChIKeyCJUCPGKPFFVMPL-UHFFFAOYSA-N
MW138.11 g/mol
LogP1.36
Rot. Bonds2

About 3,3-difluoro-2,2-dimethylpropanoic acid

3,3-difluoro-2,2-dimethylpropanoic acid (PubChem CID 19867387) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethylpropanoic acid
PubChem CID19867387
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name3,3-difluoro-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(F)F
InChIInChI=1S/C5H8F2O2/c1-5(2,3(6)7)4(8)9/h3H,1-2H3,(H,8,9)
InChIKeyCJUCPGKPFFVMPL-UHFFFAOYSA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 51.36
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-dimethylpropanoic acid?
The IUPAC name of 3,3-difluoro-2,2-dimethylpropanoic acid (CID 19867387) is 3,3-difluoro-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3,3-difluoro-2,2-dimethylpropanoic acid?
The canonical SMILES for 3,3-difluoro-2,2-dimethylpropanoic acid is CC(C)(C(=O)O)C(F)F.
What is the InChIKey of 3,3-difluoro-2,2-dimethylpropanoic acid?
The InChIKey is CJUCPGKPFFVMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c1-5(2,3(6)7)4(8)9/h3H,1-2H3,(H,8,9).
What are the key properties of 3,3-difluoro-2,2-dimethylpropanoic acid?
3,3-difluoro-2,2-dimethylpropanoic acid has a molecular weight of 138.11 g/mol, XLogP of 1.36, 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-dimethylpropanoic acid is sourced from PubChem (CID 19867387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).