methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate

C14H14FNO3 — CID 155363806

IUPACmethyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2c(F)cccc2cc1OCCN
InChIInChI=1S/C14H14FNO3/c1-18-14(17)11-8-10-9(3-2-4-12(10)15)7-13(11)19-6-5-16/h2-4,7-8H,5-6,16H2,1H3
InChIKeyALKFSKLSCKXPAF-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.10
Rot. Bonds4

About methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate

methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate (PubChem CID 155363806) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate
PubChem CID155363806
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Namemethyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2c(F)cccc2cc1OCCN
InChIInChI=1S/C14H14FNO3/c1-18-14(17)11-8-10-9(3-2-4-12(10)15)7-13(11)19-6-5-16/h2-4,7-8H,5-6,16H2,1H3
InChIKeyALKFSKLSCKXPAF-UHFFFAOYSA-N
XLogP2.10
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate?
The IUPAC name of methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate (CID 155363806) is methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate?
The canonical SMILES for methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate is COC(=O)c1cc2c(F)cccc2cc1OCCN.
What is the InChIKey of methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate?
The InChIKey is ALKFSKLSCKXPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-18-14(17)11-8-10-9(3-2-4-12(10)15)7-13(11)19-6-5-16/h2-4,7-8H,5-6,16H2,1H3.
What are the key properties of methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate?
methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminoethoxy)-8-fluoronaphthalene-2-carboxylate is sourced from PubChem (CID 155363806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).