3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid

C5H8F2O2 — CID 52911204

IUPAC3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid
SMILESCC(CF)(CF)C(=O)O
InChIInChI=1S/C5H8F2O2/c1-5(2-6,3-7)4(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyCNMSTIBVHJXRIQ-UHFFFAOYSA-N
MW138.11 g/mol
LogP1.02
Rot. Bonds3

About 3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid

3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid (PubChem CID 52911204) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is 3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid
PubChem CID52911204
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid
SMILESCC(CF)(CF)C(=O)O
InChIInChI=1S/C5H8F2O2/c1-5(2-6,3-7)4(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyCNMSTIBVHJXRIQ-UHFFFAOYSA-N
XLogP1.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid?
The IUPAC name of 3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid (CID 52911204) is 3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid?
The canonical SMILES for 3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid is CC(CF)(CF)C(=O)O.
What is the InChIKey of 3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid?
The InChIKey is CNMSTIBVHJXRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c1-5(2-6,3-7)4(8)9/h2-3H2,1H3,(H,8,9).
What are the key properties of 3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid?
3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid has a molecular weight of 138.11 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(fluoromethyl)-2-methylpropanoic acid is sourced from PubChem (CID 52911204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).