2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid

C10H9F3O3 — CID 154815056

IUPAC2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid
SMILESCc1cccc(OCC(F)(F)F)c1C(=O)O
InChIInChI=1S/C10H9F3O3/c1-6-3-2-4-7(8(6)9(14)15)16-5-10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyMYVKNDYDZAXYKY-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.63
Rot. Bonds3

About 2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid

2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid (PubChem CID 154815056) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid.

Molecular Properties

Compound Name2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid
PubChem CID154815056
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid
SMILESCc1cccc(OCC(F)(F)F)c1C(=O)O
InChIInChI=1S/C10H9F3O3/c1-6-3-2-4-7(8(6)9(14)15)16-5-10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyMYVKNDYDZAXYKY-UHFFFAOYSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
CID 21493157
2-methyl-6-prop-2-ynoxybenzoic acid
CID 174179997
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
2-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]-6-sulfanylbenzoic acid
CID 156556995
2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107014003
methyl 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)benzoate
CID 54424942
2-ethynoxy-6-methylbenzoic acid
CID 174180001
2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769160
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 82828919
3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 61492457
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid?
The IUPAC name of 2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid (CID 154815056) is 2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid.
What is the SMILES notation for 2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid?
The canonical SMILES for 2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid is Cc1cccc(OCC(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid?
The InChIKey is MYVKNDYDZAXYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-6-3-2-4-7(8(6)9(14)15)16-5-10(11,12)13/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid?
2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid has a molecular weight of 234.17 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid is sourced from PubChem (CID 154815056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).