2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid

C6H9F3O3 — CID 89686659

IUPAC2-methyl-2-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCC(C)(C(=O)O)OCC(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-5(2,4(10)11)12-3-6(7,8)9/h3H2,1-2H3,(H,10,11)
InChIKeyKEJWSARWZKLMRW-UHFFFAOYSA-N
MW186.13 g/mol
LogP1.40
Rot. Bonds3

About 2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid

2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid (PubChem CID 89686659) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethoxy)propanoic acid.

Molecular Properties

Compound Name2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid
PubChem CID89686659
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name2-methyl-2-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCC(C)(C(=O)O)OCC(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-5(2,4(10)11)12-3-6(7,8)9/h3H2,1-2H3,(H,10,11)
InChIKeyKEJWSARWZKLMRW-UHFFFAOYSA-N
XLogP1.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity173

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 10867048
2-Ethoxy-2-methylpropanoic acid
CID 14459678
Ethyl 2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropionate
CID 13384220
2-(2,2,2-Trifluoroethoxy)propanoic acid
CID 10511382
Methyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 13384224
2-(Tert-butoxy)propanoic acid
CID 18674926
(2S)-2-(tert-butoxy)propanoic acid
CID 23554216
2-Methyl-2-(propan-2-yloxy)propanoic acid
CID 54147235
2-[(1,1,1-Trifluoro-2-methylpropan-2-yl)oxy]acetic acid
CID 86635123
(2R)-2-(tert-butoxy)propanoic acid
CID 87649827
(S)-3,3,3-trifluoro-2-hydroxy-2-methyl-propionic acid ethyl ester
CID 11030517
Methoxytrifluoropropionic acid
CID 18433142

Frequently Asked Questions

What is the IUPAC name of 2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid?
The IUPAC name of 2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid (CID 89686659) is 2-methyl-2-(2,2,2-trifluoroethoxy)propanoic acid.
What is the SMILES notation for 2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid?
The canonical SMILES for 2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid is CC(C)(C(=O)O)OCC(F)(F)F.
What is the InChIKey of 2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid?
The InChIKey is KEJWSARWZKLMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-5(2,4(10)11)12-3-6(7,8)9/h3H2,1-2H3,(H,10,11).
What are the key properties of 2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid?
2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid has a molecular weight of 186.13 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid is sourced from PubChem (CID 89686659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).