2,3,3-trifluoro-2-methylpropanoic acid

C4H5F3O2 — CID 20511543

IUPAC2,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(F)(C(=O)O)C(F)F
InChIInChI=1S/C4H5F3O2/c1-4(7,2(5)6)3(8)9/h2H,1H3,(H,8,9)
InChIKeyXXDPTJVPSJAGGL-UHFFFAOYSA-N
MW142.08 g/mol
LogP1.06
Rot. Bonds2

About 2,3,3-trifluoro-2-methylpropanoic acid

2,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 20511543) has the molecular formula C4H5F3O2 and a molecular weight of 142.08 g/mol. Its IUPAC name is 2,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2,3,3-trifluoro-2-methylpropanoic acid
PubChem CID20511543
Molecular FormulaC4H5F3O2
Molecular Weight142.08 g/mol
Exact Mass142.02
IUPAC Name2,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(F)(C(=O)O)C(F)F
InChIInChI=1S/C4H5F3O2/c1-4(7,2(5)6)3(8)9/h2H,1H3,(H,8,9)
InChIKeyXXDPTJVPSJAGGL-UHFFFAOYSA-N
XLogP1.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3-trifluoro-2-methylpropanamide
CID 139700951
carbonic acid;1,2-difluoropropane-1,2-diol
CID 146624455
3-ethyl-2-fluoro-2,4-dimethylhexanoic acid
CID 134225925
2,2,3,3,4,4-hexafluorobutanoic acid;silver
CID 165155823
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186
2,2-dimethylpropanoic acid
CID 87781698
3,4-difluoro-2,2-dimethylbutanoic acid
CID 175217464
3-fluoro-2-hydroxy-2-methylbutanedioic acid
CID 141001148
2,2-difluoro-3-hydroxy-3-methylbutanoic acid
CID 10773173
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
methanimine;2,2,2-trifluoroacetic acid
CID 87715622
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2,3,3-trifluoro-2-methylpropanoic acid (CID 20511543) is 2,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2,3,3-trifluoro-2-methylpropanoic acid is CC(F)(C(=O)O)C(F)F.
What is the InChIKey of 2,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is XXDPTJVPSJAGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2/c1-4(7,2(5)6)3(8)9/h2H,1H3,(H,8,9).
What are the key properties of 2,3,3-trifluoro-2-methylpropanoic acid?
2,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 142.08 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 20511543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).