ethyl 7-fluoronaphthalene-2-carboxylate

C13H11FO2 — CID 141388093

IUPACethyl 7-fluoronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2ccc(F)cc2c1
InChIInChI=1S/C13H11FO2/c1-2-16-13(15)10-4-3-9-5-6-12(14)8-11(9)7-10/h3-8H,2H2,1H3
InChIKeyBURJGKKPKLUGBR-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.16
Rot. Bonds2

About ethyl 7-fluoronaphthalene-2-carboxylate

ethyl 7-fluoronaphthalene-2-carboxylate (PubChem CID 141388093) has the molecular formula C13H11FO2 and a molecular weight of 218.23 g/mol. Its IUPAC name is ethyl 7-fluoronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoronaphthalene-2-carboxylate
PubChem CID141388093
Molecular FormulaC13H11FO2
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Nameethyl 7-fluoronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2ccc(F)cc2c1
InChIInChI=1S/C13H11FO2/c1-2-16-13(15)10-4-3-9-5-6-12(14)8-11(9)7-10/h3-8H,2H2,1H3
InChIKeyBURJGKKPKLUGBR-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoronaphthalene-2-carboxylate?
The IUPAC name of ethyl 7-fluoronaphthalene-2-carboxylate (CID 141388093) is ethyl 7-fluoronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 7-fluoronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 7-fluoronaphthalene-2-carboxylate is CCOC(=O)c1ccc2ccc(F)cc2c1.
What is the InChIKey of ethyl 7-fluoronaphthalene-2-carboxylate?
The InChIKey is BURJGKKPKLUGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2/c1-2-16-13(15)10-4-3-9-5-6-12(14)8-11(9)7-10/h3-8H,2H2,1H3.
What are the key properties of ethyl 7-fluoronaphthalene-2-carboxylate?
ethyl 7-fluoronaphthalene-2-carboxylate has a molecular weight of 218.23 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoronaphthalene-2-carboxylate is sourced from PubChem (CID 141388093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).