1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone

C23H14F4N2O — CID 10179747

IUPAC1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(-c3ccnc4nc(C(F)(F)F)ccc34)ccc2F)c1
InChIInChI=1S/C23H14F4N2O/c1-13(30)14-3-2-4-15(11-14)19-12-16(5-7-20(19)24)17-9-10-28-22-18(17)6-8-21(29-22)23(25,26)27/h2-12H,1H3
InChIKeyPEWPPMNGZDASIS-UHFFFAOYSA-N
MW410.37 g/mol
LogP6.32
Rot. Bonds3

About 1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone

1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone (PubChem CID 10179747) has the molecular formula C23H14F4N2O and a molecular weight of 410.37 g/mol. Its IUPAC name is 1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone
PubChem CID10179747
Molecular FormulaC23H14F4N2O
Molecular Weight410.37 g/mol
Exact Mass410.10
IUPAC Name1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(-c3ccnc4nc(C(F)(F)F)ccc34)ccc2F)c1
InChIInChI=1S/C23H14F4N2O/c1-13(30)14-3-2-4-15(11-14)19-12-16(5-7-20(19)24)17-9-10-28-22-18(17)6-8-21(29-22)23(25,26)27/h2-12H,1H3
InChIKeyPEWPPMNGZDASIS-UHFFFAOYSA-N
XLogP6.32
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.37
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone (CID 10179747) is 1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone is CC(=O)c1cccc(-c2cc(-c3ccnc4nc(C(F)(F)F)ccc34)ccc2F)c1.
What is the InChIKey of 1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone?
The InChIKey is PEWPPMNGZDASIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N2O/c1-13(30)14-3-2-4-15(11-14)19-12-16(5-7-20(19)24)17-9-10-28-22-18(17)6-8-21(29-22)23(25,26)27/h2-12H,1H3.
What are the key properties of 1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone?
1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone has a molecular weight of 410.37 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]phenyl]ethanone is sourced from PubChem (CID 10179747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).