2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate

C11H11F3O4 — CID 91730297

IUPAC2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate
SMILESCOCCOC(=O)c1cc(F)c(F)c(OC)c1F
InChIInChI=1S/C11H11F3O4/c1-16-3-4-18-11(15)6-5-7(12)9(14)10(17-2)8(6)13/h5H,3-4H2,1-2H3
InChIKeyHWAXBQYRDNXCLA-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.92
Rot. Bonds5

About 2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate

2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate (PubChem CID 91730297) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate.

Molecular Properties

Compound Name2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate
PubChem CID91730297
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate
SMILESCOCCOC(=O)c1cc(F)c(F)c(OC)c1F
InChIInChI=1S/C11H11F3O4/c1-16-3-4-18-11(15)6-5-7(12)9(14)10(17-2)8(6)13/h5H,3-4H2,1-2H3
InChIKeyHWAXBQYRDNXCLA-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-Methoxybenzoic Acid
CID 11461
3-Ethoxybenzoic acid
CID 12126
3-Propoxybenzoic acid
CID 586799
Benzoic acid, 3,4-dimethoxy-, ethyl ester
CID 77546
3-Isopropoxybenzoic acid
CID 586709
3-(Heptyloxy)benzoic acid
CID 14368760
Methyl 3,5-Dimethoxybenzoate
CID 75074
2,4,5-Trifluoro-3-methoxybenzoic acid
CID 2733970
3-(Carboxymethoxy)benzoic acid
CID 12840089
3-(Trifluoromethoxy)benzoic acid
CID 66096
3-Acetoxybenzoic acid
CID 238669
3-(2-Hydroxyethoxy)benzoic acid
CID 283048

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate?
The IUPAC name of 2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate (CID 91730297) is 2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate.
What is the SMILES notation for 2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate?
The canonical SMILES for 2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate is COCCOC(=O)c1cc(F)c(F)c(OC)c1F.
What is the InChIKey of 2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate?
The InChIKey is HWAXBQYRDNXCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-16-3-4-18-11(15)6-5-7(12)9(14)10(17-2)8(6)13/h5H,3-4H2,1-2H3.
What are the key properties of 2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate?
2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate has a molecular weight of 264.20 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,4,5-trifluoro-3-methoxybenzoate is sourced from PubChem (CID 91730297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).