1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one

C12H11F3N2O — CID 175704471

IUPAC1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one
SMILESCC[C@H](n1ccc(=O)c2cccnc21)C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-2-10(12(13,14)15)17-7-5-9(18)8-4-3-6-16-11(8)17/h3-7,10H,2H2,1H3/t10-/m0/s1
InChIKeyHUZGOOGTHFRTPY-JTQLQIEISA-N
MW256.23 g/mol
LogP2.91
Rot. Bonds2

About 1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one

1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one (PubChem CID 175704471) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one
PubChem CID175704471
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one
SMILESCC[C@H](n1ccc(=O)c2cccnc21)C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-2-10(12(13,14)15)17-7-5-9(18)8-4-3-6-16-11(8)17/h3-7,10H,2H2,1H3/t10-/m0/s1
InChIKeyHUZGOOGTHFRTPY-JTQLQIEISA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one?
The IUPAC name of 1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one (CID 175704471) is 1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one is CC[C@H](n1ccc(=O)c2cccnc21)C(F)(F)F.
What is the InChIKey of 1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one?
The InChIKey is HUZGOOGTHFRTPY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-2-10(12(13,14)15)17-7-5-9(18)8-4-3-6-16-11(8)17/h3-7,10H,2H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one?
1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one has a molecular weight of 256.23 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 175704471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).