(2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile

C19H11F8N3O — CID 166499742

IUPAC(2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1F)C(F)(F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C19H11F8N3O/c20-14-9(6-28)1-2-11-13(14)18(23,24)4-3-17(11)8-30-7-10(19(25,26)27)5-12(15(30)29-17)31-16(21)22/h1-2,5,7,16H,3-4,8H2/t17-/m1/s1
InChIKeyACOUPYYXEUESSH-QGZVFWFLSA-N
MW449.30 g/mol
LogP5.08
Rot. Bonds2

About (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile

(2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile (PubChem CID 166499742) has the molecular formula C19H11F8N3O and a molecular weight of 449.30 g/mol. Its IUPAC name is (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile.

Molecular Properties

Compound Name(2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile
PubChem CID166499742
Molecular FormulaC19H11F8N3O
Molecular Weight449.30 g/mol
Exact Mass449.08
IUPAC Name(2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1F)C(F)(F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C19H11F8N3O/c20-14-9(6-28)1-2-11-13(14)18(23,24)4-3-17(11)8-30-7-10(19(25,26)27)5-12(15(30)29-17)31-16(21)22/h1-2,5,7,16H,3-4,8H2/t17-/m1/s1
InChIKeyACOUPYYXEUESSH-QGZVFWFLSA-N
XLogP5.08
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.30
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile?
The IUPAC name of (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile (CID 166499742) is (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile.
What is the SMILES notation for (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile?
The canonical SMILES for (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile is N#Cc1ccc2c(c1F)C(F)(F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile?
The InChIKey is ACOUPYYXEUESSH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H11F8N3O/c20-14-9(6-28)1-2-11-13(14)18(23,24)4-3-17(11)8-30-7-10(19(25,26)27)5-12(15(30)29-17)31-16(21)22/h1-2,5,7,16H,3-4,8H2/t17-/m1/s1.
What are the key properties of (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile?
(2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile has a molecular weight of 449.30 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-(difluoromethoxy)-1',8',8'-trifluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydronaphthalene]-2'-carbonitrile is sourced from PubChem (CID 166499742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).