3-fluoro-2,2-dimethylpropanoic acid

C5H9FO2 — CID 13093954

IUPAC3-fluoro-2,2-dimethylpropanoic acid
SMILESCC(C)(CF)C(=O)O
InChIInChI=1S/C5H9FO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)
InChIKeyCKRJGDYKYQUNIM-UHFFFAOYSA-N
MW120.12 g/mol
LogP1.07
Rot. Bonds2

About 3-fluoro-2,2-dimethylpropanoic acid

3-fluoro-2,2-dimethylpropanoic acid (PubChem CID 13093954) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-fluoro-2,2-dimethylpropanoic acid
PubChem CID13093954
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Name3-fluoro-2,2-dimethylpropanoic acid
SMILESCC(C)(CF)C(=O)O
InChIInChI=1S/C5H9FO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)
InChIKeyCKRJGDYKYQUNIM-UHFFFAOYSA-N
XLogP1.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutyric Acid
CID 6590
Pivalic acid
CID 6417
2-Fluoro-2-methylpropanoic acid
CID 2782828
3,3,3-Trifluoro-2,2-dimethylpropanoic acid
CID 19867367
3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186
Isobutyric-d7 acid
CID 10486801
3-Fluoro-2-methylpropanoic acid
CID 53915657
3-Fluoro-3-methylbutanoic acid
CID 55301017
3,3,3-Trideuterio-2-(trideuteriomethyl)propanoic acid
CID 12241223
Isobutyric acid-1-13C
CID 12241224
3,3-Difluoro-2,2-dimethylpropanoic acid
CID 19867387
3-Fluoro-2-(fluoromethyl)-2-methylpropanoic acid
CID 52911204

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethylpropanoic acid?
The IUPAC name of 3-fluoro-2,2-dimethylpropanoic acid (CID 13093954) is 3-fluoro-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-fluoro-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-fluoro-2,2-dimethylpropanoic acid is CC(C)(CF)C(=O)O.
What is the InChIKey of 3-fluoro-2,2-dimethylpropanoic acid?
The InChIKey is CKRJGDYKYQUNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8).
What are the key properties of 3-fluoro-2,2-dimethylpropanoic acid?
3-fluoro-2,2-dimethylpropanoic acid has a molecular weight of 120.12 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethylpropanoic acid is sourced from PubChem (CID 13093954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).