2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate

C12H14ClFO4 — CID 112689579

IUPAC2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
SMILESCOCCOCCOC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H14ClFO4/c1-16-4-5-17-6-7-18-12(15)10-8-9(13)2-3-11(10)14/h2-3,8H,4-7H2,1H3
InChIKeyFSFPDUVNPPNZAR-UHFFFAOYSA-N
MW276.69 g/mol
LogP2.30
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate

2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate (PubChem CID 112689579) has the molecular formula C12H14ClFO4 and a molecular weight of 276.69 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
PubChem CID112689579
Molecular FormulaC12H14ClFO4
Molecular Weight276.69 g/mol
Exact Mass276.06
IUPAC Name2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
SMILESCOCCOCCOC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H14ClFO4/c1-16-4-5-17-6-7-18-12(15)10-8-9(13)2-3-11(10)14/h2-3,8H,4-7H2,1H3
InChIKeyFSFPDUVNPPNZAR-UHFFFAOYSA-N
XLogP2.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 52.30
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

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
2-(2-methoxyethoxy)ethyl 2-fluoro-5-sulfanylbenzoate
CID 107019067
[2-(2-methoxyethylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620148
heptyl 5-chloro-2-fluorobenzoate
CID 63840188
2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103885347
2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium
CID 150366531
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-amino-4-fluorobenzoate
CID 104563056
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate
CID 105076040
2-cyclobutylethyl 5-chloro-2-fluorobenzoate
CID 106206623
3-methoxypropyl 2-fluoro-5-sulfanylbenzoate
CID 107018250
2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate
CID 104567564
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate (CID 112689579) is 2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate is COCCOCCOC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate?
The InChIKey is FSFPDUVNPPNZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO4/c1-16-4-5-17-6-7-18-12(15)10-8-9(13)2-3-11(10)14/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate?
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate has a molecular weight of 276.69 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate is sourced from PubChem (CID 112689579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).