7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine

C16H7F7N2O — CID 2766503

IUPAC7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C16H7F7N2O/c17-8-1-3-9(4-2-8)26-13-6-5-10-11(15(18,19)20)7-12(16(21,22)23)24-14(10)25-13/h1-7H
InChIKeyLROYSHLQXUBFSF-UHFFFAOYSA-N
MW376.23 g/mol
LogP5.60
Rot. Bonds2

About 7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine

7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (PubChem CID 2766503) has the molecular formula C16H7F7N2O and a molecular weight of 376.23 g/mol. Its IUPAC name is 7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
PubChem CID2766503
Molecular FormulaC16H7F7N2O
Molecular Weight376.23 g/mol
Exact Mass376.04
IUPAC Name7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C16H7F7N2O/c17-8-1-3-9(4-2-8)26-13-6-5-10-11(15(18,19)20)7-12(16(21,22)23)24-14(10)25-13/h1-7H
InChIKeyLROYSHLQXUBFSF-UHFFFAOYSA-N
XLogP5.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.23
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CID 2766503) is 7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine is Fc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1.
What is the InChIKey of 7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is LROYSHLQXUBFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F7N2O/c17-8-1-3-9(4-2-8)26-13-6-5-10-11(15(18,19)20)7-12(16(21,22)23)24-14(10)25-13/h1-7H.
What are the key properties of 7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 376.23 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 2766503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).