6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

C10H6F3NO2 — CID 106518080

IUPAC6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccoc2)[nH]1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-3-8(14-9(15)4-7)6-1-2-16-5-6/h1-5H,(H,14,15)
InChIKeyJINLVRQUVKFBLQ-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.65
Rot. Bonds1

About 6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106518080) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106518080
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccoc2)[nH]1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-3-8(14-9(15)4-7)6-1-2-16-5-6/h1-5H,(H,14,15)
InChIKeyJINLVRQUVKFBLQ-UHFFFAOYSA-N
XLogP2.65
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106518080) is 6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2ccoc2)[nH]1.
What is the InChIKey of 6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JINLVRQUVKFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)7-3-8(14-9(15)4-7)6-1-2-16-5-6/h1-5H,(H,14,15).
What are the key properties of 6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 229.16 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106518080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).