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

C11H11F3O4 — CID 62701897

IUPAC4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
SMILESCOCCOc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c1-17-4-5-18-7-2-3-8(10(15)16)9(6-7)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeySRHYFPNGKMHVEQ-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.43
Rot. Bonds5

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

4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid (PubChem CID 62701897) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
PubChem CID62701897
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
SMILESCOCCOc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c1-17-4-5-18-7-2-3-8(10(15)16)9(6-7)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeySRHYFPNGKMHVEQ-UHFFFAOYSA-N
XLogP2.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
CID 20785482
4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid
CID 67219946
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid
CID 117220672
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 104559827
4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)benzoyl chloride
CID 171512788
4-(4-methoxybutan-2-ylamino)-2-(trifluoromethyl)benzoic acid
CID 64605960
methyl 4-[[(2S)-oxiran-2-yl]methoxy]-2-(trifluoromethyl)benzoate
CID 118002356
1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
CID 23540082
4-(2-ethoxyethoxy)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320848

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid (CID 62701897) is 4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid is COCCOc1ccc(C(=O)O)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid?
The InChIKey is SRHYFPNGKMHVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-17-4-5-18-7-2-3-8(10(15)16)9(6-7)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of 4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid?
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid has a molecular weight of 264.20 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 62701897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).