ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C14H12F4N2O2 — CID 66601744

IUPACethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(C(C)F)nc2nc1C(F)(F)F
InChIInChI=1S/C14H12F4N2O2/c1-3-22-13(21)9-6-8-4-5-10(7(2)15)19-12(8)20-11(9)14(16,17)18/h4-7H,3H2,1-2H3
InChIKeyGNWUVODGLITTRE-UHFFFAOYSA-N
MW316.25 g/mol
LogP3.86
Rot. Bonds3

About ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 66601744) has the molecular formula C14H12F4N2O2 and a molecular weight of 316.25 g/mol. Its IUPAC name is ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID66601744
Molecular FormulaC14H12F4N2O2
Molecular Weight316.25 g/mol
Exact Mass316.08
IUPAC Nameethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(C(C)F)nc2nc1C(F)(F)F
InChIInChI=1S/C14H12F4N2O2/c1-3-22-13(21)9-6-8-4-5-10(7(2)15)19-12(8)20-11(9)14(16,17)18/h4-7H,3H2,1-2H3
InChIKeyGNWUVODGLITTRE-UHFFFAOYSA-N
XLogP3.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 66601744) is ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2ccc(C(C)F)nc2nc1C(F)(F)F.
What is the InChIKey of ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is GNWUVODGLITTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O2/c1-3-22-13(21)9-6-8-4-5-10(7(2)15)19-12(8)20-11(9)14(16,17)18/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 316.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(1-fluoroethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66601744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).