(2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one

C18H9BrF8N2O2 — CID 166499552

IUPAC(2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one
SMILESO=C1c2c(ccc(Br)c2F)[C@]2(CN3C=C(C(F)(F)F)C=C(OC(F)F)C3=N2)CC1(F)F
InChIInChI=1S/C18H9BrF8N2O2/c19-9-2-1-8-11(12(9)20)13(30)17(23,24)5-16(8)6-29-4-7(18(25,26)27)3-10(14(29)28-16)31-15(21)22/h1-4,15H,5-6H2/t16-/m1/s1
InChIKeyUSBJLXFMGDEXAS-MRXNPFEDSA-N
MW517.17 g/mol
LogP5.30
Rot. Bonds2

About (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one

(2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one (PubChem CID 166499552) has the molecular formula C18H9BrF8N2O2 and a molecular weight of 517.17 g/mol. Its IUPAC name is (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one.

Molecular Properties

Compound Name(2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one
PubChem CID166499552
Molecular FormulaC18H9BrF8N2O2
Molecular Weight517.17 g/mol
Exact Mass515.97
IUPAC Name(2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one
SMILESO=C1c2c(ccc(Br)c2F)[C@]2(CN3C=C(C(F)(F)F)C=C(OC(F)F)C3=N2)CC1(F)F
InChIInChI=1S/C18H9BrF8N2O2/c19-9-2-1-8-11(12(9)20)13(30)17(23,24)5-16(8)6-29-4-7(18(25,26)27)3-10(14(29)28-16)31-15(21)22/h1-4,15H,5-6H2/t16-/m1/s1
InChIKeyUSBJLXFMGDEXAS-MRXNPFEDSA-N
XLogP5.30
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.17
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one?
The IUPAC name of (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one (CID 166499552) is (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one.
What is the SMILES notation for (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one?
The canonical SMILES for (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one is O=C1c2c(ccc(Br)c2F)[C@]2(CN3C=C(C(F)(F)F)C=C(OC(F)F)C3=N2)CC1(F)F.
What is the InChIKey of (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one?
The InChIKey is USBJLXFMGDEXAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H9BrF8N2O2/c19-9-2-1-8-11(12(9)20)13(30)17(23,24)5-16(8)6-29-4-7(18(25,26)27)3-10(14(29)28-16)31-15(21)22/h1-4,15H,5-6H2/t16-/m1/s1.
What are the key properties of (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one?
(2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one has a molecular weight of 517.17 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7'-bromo-8-(difluoromethoxy)-2',2',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,4'-3H-naphthalene]-1'-one is sourced from PubChem (CID 166499552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).