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

C18H11F9N2O2 — CID 166499530

IUPAC8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(C(F)(F)F)ccc2c1COCC21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H11F9N2O2/c19-13-9-5-30-7-16(10(9)1-2-11(13)18(25,26)27)6-29-4-8(17(22,23)24)3-12(14(29)28-16)31-15(20)21/h1-4,15H,5-7H2
InChIKeyAELRUVKJLTXJBF-UHFFFAOYSA-N
MW458.28 g/mol
LogP4.87
Rot. Bonds2

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

8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499530) has the molecular formula C18H11F9N2O2 and a molecular weight of 458.28 g/mol. Its IUPAC name is 8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499530
Molecular FormulaC18H11F9N2O2
Molecular Weight458.28 g/mol
Exact Mass458.07
IUPAC Name8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(C(F)(F)F)ccc2c1COCC21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H11F9N2O2/c19-13-9-5-30-7-16(10(9)1-2-11(13)18(25,26)27)6-29-4-8(17(22,23)24)3-12(14(29)28-16)31-15(20)21/h1-4,15H,5-7H2
InChIKeyAELRUVKJLTXJBF-UHFFFAOYSA-N
XLogP4.87
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.28
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] with MolForge

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Related Compounds

US12226405, Example 45
CID 166499547
US12226405, Example 46
CID 166499643
US12226405, Example 98
CID 166499656
US12226405, Example 40
CID 166499660
US12226405, Example 104
CID 166499683
US12226405, Example 55
CID 166499687
US12226405, Example 61
CID 166499727
US12226405, Example 101
CID 166499759
US12226405, Example 47
CID 166499806
US12226405, Example 44
CID 166499818
US12226405, Example 63
CID 166499822
(4R)-8'-(difluoromethoxy)-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499601

Frequently Asked Questions

What is the IUPAC name of 8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of 8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499530) is 8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for 8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for 8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(C(F)(F)F)ccc2c1COCC21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of 8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is AELRUVKJLTXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F9N2O2/c19-13-9-5-30-7-16(10(9)1-2-11(13)18(25,26)27)6-29-4-8(17(22,23)24)3-12(14(29)28-16)31-15(20)21/h1-4,15H,5-7H2.
What are the key properties of 8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 458.28 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).