ethyl 3-(4-fluorophenyl)furan-2-carboxylate

C13H11FO3 — CID 169200046

IUPACethyl 3-(4-fluorophenyl)furan-2-carboxylate
SMILESCCOC(=O)c1occc1-c1ccc(F)cc1
InChIInChI=1S/C13H11FO3/c1-2-16-13(15)12-11(7-8-17-12)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyLXYSTIFKVMQFNB-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.26
Rot. Bonds3

About ethyl 3-(4-fluorophenyl)furan-2-carboxylate

ethyl 3-(4-fluorophenyl)furan-2-carboxylate (PubChem CID 169200046) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)furan-2-carboxylate
PubChem CID169200046
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Nameethyl 3-(4-fluorophenyl)furan-2-carboxylate
SMILESCCOC(=O)c1occc1-c1ccc(F)cc1
InChIInChI=1S/C13H11FO3/c1-2-16-13(15)12-11(7-8-17-12)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyLXYSTIFKVMQFNB-UHFFFAOYSA-N
XLogP3.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)furan-2-carboxylic acid
CID 19874616
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 3-carbamoylfuran-2-carboxylate
CID 24973056
ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 14498216
ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 66771917
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199500
ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 90717630
ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
ethyl 5-(4-fluorophenyl)-4-phenylthiophene-2-carboxylate
CID 131954949
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
diethyl 3,6-bis(4-fluorophenyl)thieno[3,2-b]thiophene-2,5-dicarboxylate
CID 134386122

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)furan-2-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)furan-2-carboxylate (CID 169200046) is ethyl 3-(4-fluorophenyl)furan-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)furan-2-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)furan-2-carboxylate is CCOC(=O)c1occc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 3-(4-fluorophenyl)furan-2-carboxylate?
The InChIKey is LXYSTIFKVMQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c1-2-16-13(15)12-11(7-8-17-12)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-(4-fluorophenyl)furan-2-carboxylate?
ethyl 3-(4-fluorophenyl)furan-2-carboxylate has a molecular weight of 234.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)furan-2-carboxylate is sourced from PubChem (CID 169200046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).