ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate

C17H12ClFO3 — CID 18688795

IUPACethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(F)cc2c1-c1ccccc1Cl
InChIInChI=1S/C17H12ClFO3/c1-2-21-17(20)16-15(11-5-3-4-6-13(11)18)12-9-10(19)7-8-14(12)22-16/h3-9H,2H2,1H3
InChIKeyFDFSXLCDLURBCQ-UHFFFAOYSA-N
MW318.73 g/mol
LogP5.07
Rot. Bonds3

About ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate

ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate (PubChem CID 18688795) has the molecular formula C17H12ClFO3 and a molecular weight of 318.73 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate
PubChem CID18688795
Molecular FormulaC17H12ClFO3
Molecular Weight318.73 g/mol
Exact Mass318.05
IUPAC Nameethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(F)cc2c1-c1ccccc1Cl
InChIInChI=1S/C17H12ClFO3/c1-2-21-17(20)16-15(11-5-3-4-6-13(11)18)12-9-10(19)7-8-14(12)22-16/h3-9H,2H2,1H3
InChIKeyFDFSXLCDLURBCQ-UHFFFAOYSA-N
XLogP5.07
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.73
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560216
1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea
CID 15285310
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
ethyl 2-(2,3-dichlorophenyl)-5-fluorobenzoate
CID 118809533
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8506388
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-fluoro-3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 16558736
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
ethyl 2-(2-chloro-4-fluorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371412
ethyl 5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685436

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate (CID 18688795) is ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(F)cc2c1-c1ccccc1Cl.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate?
The InChIKey is FDFSXLCDLURBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFO3/c1-2-21-17(20)16-15(11-5-3-4-6-13(11)18)12-9-10(19)7-8-14(12)22-16/h3-9H,2H2,1H3.
What are the key properties of ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate?
ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate has a molecular weight of 318.73 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 18688795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).