(2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one

C18H11F7N2O2 — CID 166499617

IUPAC(2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one
SMILESO=C1c2c(F)cccc2[C@@]2(C[C@H]1F)CN1C=C(C(F)(F)F)C=C(OC(F)F)C1=N2
InChIInChI=1S/C18H11F7N2O2/c19-10-3-1-2-9-13(10)14(28)11(20)5-17(9)7-27-6-8(18(23,24)25)4-12(15(27)26-17)29-16(21)22/h1-4,6,11,16H,5,7H2/t11-,17-/m1/s1
InChIKeyYUVOTSUJCQZDHC-PIGZYNQJSA-N
MW420.28 g/mol
LogP4.24
Rot. Bonds2

About (2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one

(2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one (PubChem CID 166499617) has the molecular formula C18H11F7N2O2 and a molecular weight of 420.28 g/mol. Its IUPAC name is (2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one.

Molecular Properties

Compound Name(2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one
PubChem CID166499617
Molecular FormulaC18H11F7N2O2
Molecular Weight420.28 g/mol
Exact Mass420.07
IUPAC Name(2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one
SMILESO=C1c2c(F)cccc2[C@@]2(C[C@H]1F)CN1C=C(C(F)(F)F)C=C(OC(F)F)C1=N2
InChIInChI=1S/C18H11F7N2O2/c19-10-3-1-2-9-13(10)14(28)11(20)5-17(9)7-27-6-8(18(23,24)25)4-12(15(27)26-17)29-16(21)22/h1-4,6,11,16H,5,7H2/t11-,17-/m1/s1
InChIKeyYUVOTSUJCQZDHC-PIGZYNQJSA-N
XLogP4.24
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one?
The IUPAC name of (2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one (CID 166499617) is (2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one.
What is the SMILES notation for (2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one?
The canonical SMILES for (2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one is O=C1c2c(F)cccc2[C@@]2(C[C@H]1F)CN1C=C(C(F)(F)F)C=C(OC(F)F)C1=N2.
What is the InChIKey of (2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one?
The InChIKey is YUVOTSUJCQZDHC-PIGZYNQJSA-N. The full InChI is InChI=1S/C18H11F7N2O2/c19-10-3-1-2-9-13(10)14(28)11(20)5-17(9)7-27-6-8(18(23,24)25)4-12(15(27)26-17)29-16(21)22/h1-4,6,11,16H,5,7H2/t11-,17-/m1/s1.
What are the key properties of (2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one?
(2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one has a molecular weight of 420.28 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-8'-(difluoromethoxy)-2,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one is sourced from PubChem (CID 166499617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).