6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one

C8H4F3NO2 — CID 58687969

IUPAC6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one
SMILESO=C1OCc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C8H4F3NO2/c9-8(10,11)6-1-4-3-14-7(13)5(4)2-12-6/h1-2H,3H2
InChIKeyLALXDHLWAOYULB-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.77
Rot. Bonds

About 6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one

6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one (PubChem CID 58687969) has the molecular formula C8H4F3NO2 and a molecular weight of 203.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one
PubChem CID58687969
Molecular FormulaC8H4F3NO2
Molecular Weight203.12 g/mol
Exact Mass203.02
IUPAC Name6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one
SMILESO=C1OCc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C8H4F3NO2/c9-8(10,11)6-1-4-3-14-7(13)5(4)2-12-6/h1-2H,3H2
InChIKeyLALXDHLWAOYULB-UHFFFAOYSA-N
XLogP1.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one (CID 58687969) is 6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one is O=C1OCc2cc(C(F)(F)F)ncc21.
What is the InChIKey of 6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one?
The InChIKey is LALXDHLWAOYULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO2/c9-8(10,11)6-1-4-3-14-7(13)5(4)2-12-6/h1-2H,3H2.
What are the key properties of 6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one?
6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one has a molecular weight of 203.12 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 58687969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).