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

C17H13ClF4N2O2 — CID 166499526

IUPAC(4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFCOC1=CC(C(F)(F)F)=CN2C[C@@]3(CCOc4c(Cl)cccc43)N=C12
InChIInChI=1S/C17H13ClF4N2O2/c18-12-3-1-2-11-14(12)25-5-4-16(11)8-24-7-10(17(20,21)22)6-13(26-9-19)15(24)23-16/h1-3,6-7H,4-5,8-9H2/t16-/m1/s1
InChIKeyFKKQDDHFZXVTAB-MRXNPFEDSA-N
MW388.75 g/mol
LogP4.32
Rot. Bonds2

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

(4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499526) has the molecular formula C17H13ClF4N2O2 and a molecular weight of 388.75 g/mol. Its IUPAC name is (4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499526
Molecular FormulaC17H13ClF4N2O2
Molecular Weight388.75 g/mol
Exact Mass388.06
IUPAC Name(4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFCOC1=CC(C(F)(F)F)=CN2C[C@@]3(CCOc4c(Cl)cccc43)N=C12
InChIInChI=1S/C17H13ClF4N2O2/c18-12-3-1-2-11-14(12)25-5-4-16(11)8-24-7-10(17(20,21)22)6-13(26-9-19)15(24)23-16/h1-3,6-7H,4-5,8-9H2/t16-/m1/s1
InChIKeyFKKQDDHFZXVTAB-MRXNPFEDSA-N
XLogP4.32
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.75
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499526) is (4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is FCOC1=CC(C(F)(F)F)=CN2C[C@@]3(CCOc4c(Cl)cccc43)N=C12.
What is the InChIKey of (4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is FKKQDDHFZXVTAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H13ClF4N2O2/c18-12-3-1-2-11-14(12)25-5-4-16(11)8-24-7-10(17(20,21)22)6-13(26-9-19)15(24)23-16/h1-3,6-7H,4-5,8-9H2/t16-/m1/s1.
What are the key properties of (4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 388.75 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-chloro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).