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

C18H11BrF8N2O — CID 166499719

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

(1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499719) has the molecular formula C18H11BrF8N2O and a molecular weight of 503.19 g/mol. Its IUPAC name is (1S)-6-bromo-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)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]
• PubChem CID: 166499719
• Molecular Formula: C18H11BrF8N2O
• Molecular Weight: 503.19 g/mol
• Exact Mass: 501.99
• IUPAC Name: (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]
• SMILES: Fc1c(Br)ccc2c1C(F)(F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
• InChI: InChI=1S/C18H11BrF8N2O/c19-10-2-1-9-12(13(10)20)17(23,24)4-3-16(9)7-29-6-8(18(25,26)27)5-11(14(29)28-16)30-15(21)22/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1
• InChIKey: PJTBHNONYKKENN-MRXNPFEDSA-N
• XLogP: 5.97
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.19
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1S)-6-bromo-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)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine] (CID 166499719) is (1S)-6-bromo-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)-6-bromo-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)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(Br)ccc2c1C(F)(F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.

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

The InChIKey is PJTBHNONYKKENN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H11BrF8N2O/c19-10-2-1-9-12(13(10)20)17(23,24)4-3-16(9)7-29-6-8(18(25,26)27)5-11(14(29)28-16)30-15(21)22/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1.

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

(1S)-6-bromo-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 503.19 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-6-bromo-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 166499719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).