(4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]

C18H12F8N2O2S — CID 166499626

About (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]

(4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499626) has the molecular formula C18H12F8N2O2S and a molecular weight of 472.36 g/mol. Its IUPAC name is (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

• Compound Name: (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
• PubChem CID: 166499626
• Molecular Formula: C18H12F8N2O2S
• Molecular Weight: 472.36 g/mol
• Exact Mass: 472.05
• IUPAC Name: (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
• SMILES: Fc1c(SC(F)F)ccc2c1OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
• InChI: InChI=1S/C18H12F8N2O2S/c19-12-11(31-16(22)23)2-1-9-13(12)29-4-3-17(9)7-28-6-8(18(24,25)26)5-10(14(28)27-17)30-15(20)21/h1-2,5-6,15-16H,3-4,7H2/t17-/m1/s1
• InChIKey: KUQNYBQGKVQMKG-QGZVFWFLSA-N
• XLogP: 5.42
• TPSA: 34.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.36
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?

The IUPAC name of (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499626) is (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

What is the SMILES notation for (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?

The canonical SMILES for (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(SC(F)F)ccc2c1OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.

What is the InChIKey of (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?

The InChIKey is KUQNYBQGKVQMKG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H12F8N2O2S/c19-12-11(31-16(22)23)2-1-9-13(12)29-4-3-17(9)7-28-6-8(18(24,25)26)5-10(14(28)27-17)30-15(20)21/h1-2,5-6,15-16H,3-4,7H2/t17-/m1/s1.

What are the key properties of (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?

(4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 472.36 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-8'-(difluoromethoxy)-7-(difluoromethylsulfanyl)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).