4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one

C8H4F3NO2 — CID 168966903

IUPAC4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one
SMILESO=c1cc(C(F)(F)F)c2ccoc2[nH]1
InChIInChI=1S/C8H4F3NO2/c9-8(10,11)5-3-6(13)12-7-4(5)1-2-14-7/h1-3H,(H,12,13)
InChIKeyOCKDMKHLVWCHJU-UHFFFAOYSA-N
MW203.12 g/mol
LogP2.14
Rot. Bonds

About 4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one

4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one (PubChem CID 168966903) has the molecular formula C8H4F3NO2 and a molecular weight of 203.12 g/mol. Its IUPAC name is 4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one
PubChem CID168966903
Molecular FormulaC8H4F3NO2
Molecular Weight203.12 g/mol
Exact Mass203.02
IUPAC Name4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one
SMILESO=c1cc(C(F)(F)F)c2ccoc2[nH]1
InChIInChI=1S/C8H4F3NO2/c9-8(10,11)5-3-6(13)12-7-4(5)1-2-14-7/h1-3H,(H,12,13)
InChIKeyOCKDMKHLVWCHJU-UHFFFAOYSA-N
XLogP2.14
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one?
The IUPAC name of 4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one (CID 168966903) is 4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one?
The canonical SMILES for 4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one is O=c1cc(C(F)(F)F)c2ccoc2[nH]1.
What is the InChIKey of 4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one?
The InChIKey is OCKDMKHLVWCHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO2/c9-8(10,11)5-3-6(13)12-7-4(5)1-2-14-7/h1-3H,(H,12,13).
What are the key properties of 4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one?
4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one has a molecular weight of 203.12 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one is sourced from PubChem (CID 168966903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).