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

C18H14F6N2O2S — CID 166499745

IUPAC(4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESCSc1ccc2c(c1F)OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H14F6N2O2S/c1-29-12-3-2-10-14(13(12)19)27-5-4-17(10)8-26-7-9(18(22,23)24)6-11(15(26)25-17)28-16(20)21/h2-3,6-7,16H,4-5,8H2,1H3/t17-/m1/s1
InChIKeyAHSVGNBDAZFHDG-QGZVFWFLSA-N
MW436.38 g/mol
LogP4.82
Rot. Bonds3

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

(4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499745) has the molecular formula C18H14F6N2O2S and a molecular weight of 436.38 g/mol. Its IUPAC name is (4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499745
Molecular FormulaC18H14F6N2O2S
Molecular Weight436.38 g/mol
Exact Mass436.07
IUPAC Name(4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESCSc1ccc2c(c1F)OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H14F6N2O2S/c1-29-12-3-2-10-14(13(12)19)27-5-4-17(10)8-26-7-9(18(22,23)24)6-11(15(26)25-17)28-16(20)21/h2-3,6-7,16H,4-5,8H2,1H3/t17-/m1/s1
InChIKeyAHSVGNBDAZFHDG-QGZVFWFLSA-N
XLogP4.82
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-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)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499745) is (4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is CSc1ccc2c(c1F)OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is AHSVGNBDAZFHDG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14F6N2O2S/c1-29-12-3-2-10-14(13(12)19)27-5-4-17(10)8-26-7-9(18(22,23)24)6-11(15(26)25-17)28-16(20)21/h2-3,6-7,16H,4-5,8H2,1H3/t17-/m1/s1.
What are the key properties of (4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 436.38 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8'-(difluoromethoxy)-8-fluoro-7-methylsulfanyl-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).