2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one

C11H9F3N2O — CID 163371195

IUPAC2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one
SMILESO=C1NCC2(CC2)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)7-2-1-6-8(16-7)10(3-4-10)5-15-9(6)17/h1-2H,3-5H2,(H,15,17)
InChIKeyNGLDGPDHSYQRMS-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.88
Rot. Bonds

About 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one

2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one (PubChem CID 163371195) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one.

Molecular Properties

Compound Name2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one
PubChem CID163371195
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one
SMILESO=C1NCC2(CC2)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)7-2-1-6-8(16-7)10(3-4-10)5-15-9(6)17/h1-2H,3-5H2,(H,15,17)
InChIKeyNGLDGPDHSYQRMS-UHFFFAOYSA-N
XLogP1.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one 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

2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione
CID 170178448
5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,5'-6,7-dihydrocyclopenta[b]pyridine]-7-one
CID 170178075
spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 175842879
fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
CID 166106506
2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 53246831
(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
6-(1-isocyanocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
CID 170542165
2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine
CID 141429912
1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
CID 150305620
8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 162604045
5-[4-(trifluoromethyl)pyrimidin-2-yl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 146077895

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one?
The IUPAC name of 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one (CID 163371195) is 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one.
What is the SMILES notation for 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one?
The canonical SMILES for 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one is O=C1NCC2(CC2)c2nc(C(F)(F)F)ccc21.
What is the InChIKey of 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one?
The InChIKey is NGLDGPDHSYQRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)7-2-1-6-8(16-7)10(3-4-10)5-15-9(6)17/h1-2H,3-5H2,(H,15,17).
What are the key properties of 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one?
2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one has a molecular weight of 242.20 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one is sourced from PubChem (CID 163371195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).