2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione

C16H9F3N2O3 — CID 170178448

IUPAC2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione
SMILESO=C1NC(=O)C2(COc3ccccc32)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)11-6-5-8-12(20-11)15(14(23)21-13(8)22)7-24-10-4-2-1-3-9(10)15/h1-6H,7H2,(H,21,22,23)
InChIKeyXXFHGKXBHQFUJK-UHFFFAOYSA-N
MW334.25 g/mol
LogP2.05
Rot. Bonds

About 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione

2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione (PubChem CID 170178448) has the molecular formula C16H9F3N2O3 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione.

Molecular Properties

Compound Name2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione
PubChem CID170178448
Molecular FormulaC16H9F3N2O3
Molecular Weight334.25 g/mol
Exact Mass334.06
IUPAC Name2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione
SMILESO=C1NC(=O)C2(COc3ccccc32)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)11-6-5-8-12(20-11)15(14(23)21-13(8)22)7-24-10-4-2-1-3-9(10)15/h1-6H,7H2,(H,21,22,23)
InChIKeyXXFHGKXBHQFUJK-UHFFFAOYSA-N
XLogP2.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178209
(3S)-5'-(cyclopropylmethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178205
2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione
CID 170178455
2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one
CID 163371195
5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,5'-6,7-dihydrocyclopenta[b]pyridine]-7-one
CID 170178075
6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione
CID 170178428
3,3-dibromo-2H-1-benzofuran
CID 70451620
spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one
CID 150627581
2-amino-2-[4-(trifluoromethyl)pyrimidin-2-yl]-4H-1,4-benzoxazin-3-one
CID 67440396
3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran
CID 171538181
(3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one
CID 91594870
6'-(1,1-difluoroethyl)spiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione
CID 170178424

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione?
The IUPAC name of 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione (CID 170178448) is 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione.
What is the SMILES notation for 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione?
The canonical SMILES for 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione is O=C1NC(=O)C2(COc3ccccc32)c2nc(C(F)(F)F)ccc21.
What is the InChIKey of 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione?
The InChIKey is XXFHGKXBHQFUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O3/c17-16(18,19)11-6-5-8-12(20-11)15(14(23)21-13(8)22)7-24-10-4-2-1-3-9(10)15/h1-6H,7H2,(H,21,22,23).
What are the key properties of 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione?
2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione has a molecular weight of 334.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione is sourced from PubChem (CID 170178448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).