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

C18H12F8N2O2 — CID 166499683

IUPAC(4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCOc4c(C(F)(F)F)cccc43)N=C12
InChIInChI=1S/C18H12F8N2O2/c19-15(20)30-12-6-9(17(21,22)23)7-28-8-16(27-14(12)28)4-5-29-13-10(16)2-1-3-11(13)18(24,25)26/h1-3,6-7,15H,4-5,8H2/t16-/m1/s1
InChIKeyPAIBTFXUCRIMRT-MRXNPFEDSA-N
MW440.29 g/mol
LogP4.98
Rot. Bonds2

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

(4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499683) has the molecular formula C18H12F8N2O2 and a molecular weight of 440.29 g/mol. Its IUPAC name is (4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499683
Molecular FormulaC18H12F8N2O2
Molecular Weight440.29 g/mol
Exact Mass440.08
IUPAC Name(4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCOc4c(C(F)(F)F)cccc43)N=C12
InChIInChI=1S/C18H12F8N2O2/c19-15(20)30-12-6-9(17(21,22)23)7-28-8-16(27-14(12)28)4-5-29-13-10(16)2-1-3-11(13)18(24,25)26/h1-3,6-7,15H,4-5,8H2/t16-/m1/s1
InChIKeyPAIBTFXUCRIMRT-MRXNPFEDSA-N
XLogP4.98
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499683) is (4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is FC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCOc4c(C(F)(F)F)cccc43)N=C12.
What is the InChIKey of (4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is PAIBTFXUCRIMRT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H12F8N2O2/c19-15(20)30-12-6-9(17(21,22)23)7-28-8-16(27-14(12)28)4-5-29-13-10(16)2-1-3-11(13)18(24,25)26/h1-3,6-7,15H,4-5,8H2/t16-/m1/s1.
What are the key properties of (4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 440.29 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).