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

C19H14F8N2O — CID 166499555

IUPAC8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2CC3(CCCc4c(C(F)(F)F)cccc43)N=C12
InChIInChI=1S/C19H14F8N2O/c20-16(21)30-14-7-10(18(22,23)24)8-29-9-17(28-15(14)29)6-2-3-11-12(17)4-1-5-13(11)19(25,26)27/h1,4-5,7-8,16H,2-3,6,9H2
InChIKeyYPUFXPGWWUAJFB-UHFFFAOYSA-N
MW438.32 g/mol
LogP5.53
Rot. Bonds2

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

8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499555) has the molecular formula C19H14F8N2O and a molecular weight of 438.32 g/mol. Its IUPAC name is 8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499555
Molecular FormulaC19H14F8N2O
Molecular Weight438.32 g/mol
Exact Mass438.10
IUPAC Name8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2CC3(CCCc4c(C(F)(F)F)cccc43)N=C12
InChIInChI=1S/C19H14F8N2O/c20-16(21)30-14-7-10(18(22,23)24)8-29-9-17(28-15(14)29)6-2-3-11-12(17)4-1-5-13(11)19(25,26)27/h1,4-5,7-8,16H,2-3,6,9H2
InChIKeyYPUFXPGWWUAJFB-UHFFFAOYSA-N
XLogP5.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.32
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of 8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499555) is 8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for 8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for 8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is FC(F)OC1=CC(C(F)(F)F)=CN2CC3(CCCc4c(C(F)(F)F)cccc43)N=C12.
What is the InChIKey of 8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is YPUFXPGWWUAJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F8N2O/c20-16(21)30-14-7-10(18(22,23)24)8-29-9-17(28-15(14)29)6-2-3-11-12(17)4-1-5-13(11)19(25,26)27/h1,4-5,7-8,16H,2-3,6,9H2.
What are the key properties of 8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 438.32 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).