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

C18H13F7N2O2 — CID 166499687

IUPAC(4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(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)cccc43)N=C12
InChIInChI=1S/C18H13F7N2O2/c19-14(20)10-2-1-3-11-13(10)28-5-4-17(11)8-27-7-9(18(23,24)25)6-12(15(27)26-17)29-16(21)22/h1-3,6-7,14,16H,4-5,8H2/t17-/m1/s1
InChIKeyJPZVWIMNTNZXMO-QGZVFWFLSA-N
MW422.30 g/mol
LogP4.90
Rot. Bonds3

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

(4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499687) has the molecular formula C18H13F7N2O2 and a molecular weight of 422.30 g/mol. Its IUPAC name is (4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499687
Molecular FormulaC18H13F7N2O2
Molecular Weight422.30 g/mol
Exact Mass422.09
IUPAC Name(4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(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)cccc43)N=C12
InChIInChI=1S/C18H13F7N2O2/c19-14(20)10-2-1-3-11-13(10)28-5-4-17(11)8-27-7-9(18(23,24)25)6-12(15(27)26-17)29-16(21)22/h1-3,6-7,14,16H,4-5,8H2/t17-/m1/s1
InChIKeyJPZVWIMNTNZXMO-QGZVFWFLSA-N
XLogP4.90
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499687) is (4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(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)cccc43)N=C12.
What is the InChIKey of (4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is JPZVWIMNTNZXMO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13F7N2O2/c19-14(20)10-2-1-3-11-13(10)28-5-4-17(11)8-27-7-9(18(23,24)25)6-12(15(27)26-17)29-16(21)22/h1-3,6-7,14,16H,4-5,8H2/t17-/m1/s1.
What are the key properties of (4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 422.30 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8'-(difluoromethoxy)-8-(difluoromethyl)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).