(3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]

C18H12F8N2O — CID 166499663

IUPAC(3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCc4cc(C(F)(F)F)ccc43)N=C12
InChIInChI=1S/C18H12F8N2O/c19-15(20)29-13-6-11(18(24,25)26)7-28-8-16(27-14(13)28)4-3-9-5-10(17(21,22)23)1-2-12(9)16/h1-2,5-7,15H,3-4,8H2/t16-/m1/s1
InChIKeyKEUADEAYCVNVJY-MRXNPFEDSA-N
MW424.29 g/mol
LogP5.14
Rot. Bonds2

About (3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]

(3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499663) has the molecular formula C18H12F8N2O and a molecular weight of 424.29 g/mol. Its IUPAC name is (3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499663
Molecular FormulaC18H12F8N2O
Molecular Weight424.29 g/mol
Exact Mass424.08
IUPAC Name(3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCc4cc(C(F)(F)F)ccc43)N=C12
InChIInChI=1S/C18H12F8N2O/c19-15(20)29-13-6-11(18(24,25)26)7-28-8-16(27-14(13)28)4-3-9-5-10(17(21,22)23)1-2-12(9)16/h1-2,5-7,15H,3-4,8H2/t16-/m1/s1
InChIKeyKEUADEAYCVNVJY-MRXNPFEDSA-N
XLogP5.14
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.29
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] (CID 166499663) is (3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] is FC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCc4cc(C(F)(F)F)ccc43)N=C12.
What is the InChIKey of (3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is KEUADEAYCVNVJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H12F8N2O/c19-15(20)29-13-6-11(18(24,25)26)7-28-8-16(27-14(13)28)4-3-9-5-10(17(21,22)23)1-2-12(9)16/h1-2,5-7,15H,3-4,8H2/t16-/m1/s1.
What are the key properties of (3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
(3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 424.29 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8'-(difluoromethoxy)-6,6'-bis(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).