(1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]

C18H12F8N2O — CID 166499647

About (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]

(1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499647) has the molecular formula C18H12F8N2O and a molecular weight of 424.29 g/mol. Its IUPAC name is (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

• Compound Name: (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]
• PubChem CID: 166499647
• Molecular Formula: C18H12F8N2O
• Molecular Weight: 424.29 g/mol
• Exact Mass: 424.08
• IUPAC Name: (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]
• SMILES: Fc1cccc2c1C(F)(F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
• InChI: InChI=1S/C18H12F8N2O/c19-11-3-1-2-10-13(11)17(22,23)5-4-16(10)8-28-7-9(18(24,25)26)6-12(14(28)27-16)29-15(20)21/h1-3,6-7,15H,4-5,8H2/t16-/m1/s1
• InChIKey: QHUTZNWICLBCSV-MRXNPFEDSA-N
• XLogP: 5.20
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.29
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]?

The IUPAC name of (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine] (CID 166499647) is (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine].

What is the SMILES notation for (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]?

The canonical SMILES for (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine] is Fc1cccc2c1C(F)(F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.

What is the InChIKey of (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]?

The InChIKey is QHUTZNWICLBCSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H12F8N2O/c19-11-3-1-2-10-13(11)17(22,23)5-4-16(10)8-28-7-9(18(24,25)26)6-12(14(28)27-16)29-15(20)21/h1-3,6-7,15H,4-5,8H2/t16-/m1/s1.

What are the key properties of (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]?

(1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 424.29 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).