3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid

C5H4F6O2 — CID 2736186

IUPAC3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
SMILESCC(C(=O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6O2/c1-3(2(12)13,4(6,7)8)5(9,10)11/h1H3,(H,12,13)
InChIKeyOIUKKVROQZMVDV-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.20
Rot. Bonds1

About 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid

3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid (PubChem CID 2736186) has the molecular formula C5H4F6O2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
PubChem CID2736186
Molecular FormulaC5H4F6O2
Molecular Weight210.07 g/mol
Exact Mass210.01
IUPAC Name3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
SMILESCC(C(=O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6O2/c1-3(2(12)13,4(6,7)8)5(9,10)11/h1H3,(H,12,13)
InChIKeyOIUKKVROQZMVDV-UHFFFAOYSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid (CID 2736186) is 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid is CC(C(=O)O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
The InChIKey is OIUKKVROQZMVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2/c1-3(2(12)13,4(6,7)8)5(9,10)11/h1H3,(H,12,13).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid has a molecular weight of 210.07 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid is sourced from PubChem (CID 2736186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).