4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid

C10H9F3O3 — CID 117220672

IUPAC4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid
SMILESCOCc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-16-5-6-2-3-7(9(14)15)8(4-6)10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyMTOCQZBXQKDQPM-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.55
Rot. Bonds3

About 4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid

4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid (PubChem CID 117220672) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid
PubChem CID117220672
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid
SMILESCOCc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-16-5-6-2-3-7(9(14)15)8(4-6)10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyMTOCQZBXQKDQPM-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid
CID 117220275
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
5-(propan-2-yloxymethyl)-2-(trifluoromethyl)benzoic acid
CID 117222030
2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 131492339
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 168922264
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
4-(4-methoxybutan-2-ylamino)-2-(trifluoromethyl)benzoic acid
CID 64605960
1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 71048144
4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333213
[4-carboxy-3-(trifluoromethyl)phenyl]-trimethylazanium
CID 87200170

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid (CID 117220672) is 4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid is COCc1ccc(C(=O)O)c(C(F)(F)F)c1.
What is the InChIKey of 4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid?
The InChIKey is MTOCQZBXQKDQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-16-5-6-2-3-7(9(14)15)8(4-6)10(11,12)13/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid?
4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid has a molecular weight of 234.17 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 117220672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).