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

C17H11ClF6N2O2 — CID 163892651

IUPAC(4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Cl)ccc2c1OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H11ClF6N2O2/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
InChIKeyQCWLCUOQTDEWIT-MRXNPFEDSA-N
MW424.73 g/mol
LogP4.75
Rot. Bonds2

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

(4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 163892651) has the molecular formula C17H11ClF6N2O2 and a molecular weight of 424.73 g/mol. Its IUPAC name is (4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID163892651
Molecular FormulaC17H11ClF6N2O2
Molecular Weight424.73 g/mol
Exact Mass424.04
IUPAC Name(4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Cl)ccc2c1OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H11ClF6N2O2/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
InChIKeyQCWLCUOQTDEWIT-MRXNPFEDSA-N
XLogP4.75
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.73
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-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-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 163892651) is (4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(Cl)ccc2c1OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is QCWLCUOQTDEWIT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H11ClF6N2O2/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-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 424.73 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-chloro-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 163892651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).