(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]

C17H11F7N2O2 — CID 166499547

IUPAC(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1ccc2c(c1F)OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H11F7N2O2/c18-10-2-1-9-13(12(10)19)27-4-3-16(9)7-26-6-8(17(22,23)24)5-11(14(26)25-16)28-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1
InChIKeyBJHPFJCUVLGNPT-MRXNPFEDSA-N
MW408.27 g/mol
LogP4.24
Rot. Bonds2

About (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]

(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499547) has the molecular formula C17H11F7N2O2 and a molecular weight of 408.27 g/mol. Its IUPAC name is (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499547
Molecular FormulaC17H11F7N2O2
Molecular Weight408.27 g/mol
Exact Mass408.07
IUPAC Name(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1ccc2c(c1F)OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H11F7N2O2/c18-10-2-1-9-13(12(10)19)27-4-3-16(9)7-26-6-8(17(22,23)24)5-11(14(26)25-16)28-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1
InChIKeyBJHPFJCUVLGNPT-MRXNPFEDSA-N
XLogP4.24
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] with MolForge

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Related Compounds

US12226405, Example 52
CID 163571355
US12226405, Example 43
CID 163892651
US12226405, Example 49
CID 166499525
US12226405, Example 95
CID 166499526
US12226405, Example 108
CID 166499530
US12226405, Example 41
CID 166499546
US12226405, Example 105
CID 166499559
US12226405, Example 69
CID 166499582
US12226405, Example 106
CID 166499626
US12226405, Example 53
CID 166499628
US12226405, Example 102
CID 166499630
US12226405, Example 51
CID 166499631

Frequently Asked Questions

What is the IUPAC name of (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499547) is (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1ccc2c(c1F)OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is BJHPFJCUVLGNPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H11F7N2O2/c18-10-2-1-9-13(12(10)19)27-4-3-16(9)7-26-6-8(17(22,23)24)5-11(14(26)25-16)28-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1.
What are the key properties of (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 408.27 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 (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).