(3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one

C18H12F4N2O2 — CID 58478750

IUPAC(3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
SMILESCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(C(F)(F)F)cc21
InChIInChI=1S/C18H12F4N2O2/c1-2-13-9-6-14(18(20,21)22)23-7-11(9)16(26-13)15-10-5-8(19)3-4-12(10)24-17(15)25/h3-7,13H,2H2,1H3,(H,24,25)/b16-15+
InChIKeyYODKSKIMULJJJX-FOCLMDBBSA-N
MW364.30 g/mol
LogP4.54
Rot. Bonds1

About (3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one

(3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one (PubChem CID 58478750) has the molecular formula C18H12F4N2O2 and a molecular weight of 364.30 g/mol. Its IUPAC name is (3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
PubChem CID58478750
Molecular FormulaC18H12F4N2O2
Molecular Weight364.30 g/mol
Exact Mass364.08
IUPAC Name(3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
SMILESCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(C(F)(F)F)cc21
InChIInChI=1S/C18H12F4N2O2/c1-2-13-9-6-14(18(20,21)22)23-7-11(9)16(26-13)15-10-5-8(19)3-4-12(10)24-17(15)25/h3-7,13H,2H2,1H3,(H,24,25)/b16-15+
InChIKeyYODKSKIMULJJJX-FOCLMDBBSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one (CID 58478750) is (3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one is CCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(C(F)(F)F)cc21.
What is the InChIKey of (3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is YODKSKIMULJJJX-FOCLMDBBSA-N. The full InChI is InChI=1S/C18H12F4N2O2/c1-2-13-9-6-14(18(20,21)22)23-7-11(9)16(26-13)15-10-5-8(19)3-4-12(10)24-17(15)25/h3-7,13H,2H2,1H3,(H,24,25)/b16-15+.
What are the key properties of (3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
(3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 364.30 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 58478750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).