2-methoxyethyl 4-(trifluoromethoxy)benzoate

C11H11F3O4 — CID 78831247

IUPAC2-methoxyethyl 4-(trifluoromethoxy)benzoate
SMILESCOCCOC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F3O4/c1-16-6-7-17-10(15)8-2-4-9(5-3-8)18-11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyNGMSVEOTVICJNG-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.39
Rot. Bonds5

About 2-methoxyethyl 4-(trifluoromethoxy)benzoate

2-methoxyethyl 4-(trifluoromethoxy)benzoate (PubChem CID 78831247) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-methoxyethyl 4-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-(trifluoromethoxy)benzoate
PubChem CID78831247
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name2-methoxyethyl 4-(trifluoromethoxy)benzoate
SMILESCOCCOC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F3O4/c1-16-6-7-17-10(15)8-2-4-9(5-3-8)18-11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyNGMSVEOTVICJNG-UHFFFAOYSA-N
XLogP2.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-(trifluoromethoxy)benzoate
CID 113220950
2-methoxyethyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19169299
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
2-methoxyethyl 4-decoxybenzoate
CID 54021370
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(trifluoromethoxy)benzoate?
The IUPAC name of 2-methoxyethyl 4-(trifluoromethoxy)benzoate (CID 78831247) is 2-methoxyethyl 4-(trifluoromethoxy)benzoate.
What is the SMILES notation for 2-methoxyethyl 4-(trifluoromethoxy)benzoate?
The canonical SMILES for 2-methoxyethyl 4-(trifluoromethoxy)benzoate is COCCOC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methoxyethyl 4-(trifluoromethoxy)benzoate?
The InChIKey is NGMSVEOTVICJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-16-6-7-17-10(15)8-2-4-9(5-3-8)18-11(12,13)14/h2-5H,6-7H2,1H3.
What are the key properties of 2-methoxyethyl 4-(trifluoromethoxy)benzoate?
2-methoxyethyl 4-(trifluoromethoxy)benzoate has a molecular weight of 264.20 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(trifluoromethoxy)benzoate is sourced from PubChem (CID 78831247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).