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

C17H11Br2F5N2O2 — CID 166499630

IUPAC(4S)-7,8-dibromo-8'-(difluoromethoxy)-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(CCOc4c3ccc(Br)c4Br)N=C12
InChIInChI=1S/C17H11Br2F5N2O2/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
InChIKeyZZJYSMXXKRYCJH-MRXNPFEDSA-N
MW530.09 g/mol
LogP5.49
Rot. Bonds2

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

(4S)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499630) has the molecular formula C17H11Br2F5N2O2 and a molecular weight of 530.09 g/mol. Its IUPAC name is (4S)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499630
Molecular FormulaC17H11Br2F5N2O2
Molecular Weight530.09 g/mol
Exact Mass527.91
IUPAC Name(4S)-7,8-dibromo-8'-(difluoromethoxy)-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(CCOc4c3ccc(Br)c4Br)N=C12
InChIInChI=1S/C17H11Br2F5N2O2/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
InChIKeyZZJYSMXXKRYCJH-MRXNPFEDSA-N
XLogP5.49
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.09
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499630) is (4S)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-7,8-dibromo-8'-(difluoromethoxy)-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(CCOc4c3ccc(Br)c4Br)N=C12.
What is the InChIKey of (4S)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is ZZJYSMXXKRYCJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H11Br2F5N2O2/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)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 530.09 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7,8-dibromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).