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

C17H11F7N2O — CID 166499520

IUPAC(3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1ccc2c(c1F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H11F7N2O/c18-11-2-1-10-9(13(11)19)3-4-16(10)7-26-6-8(17(22,23)24)5-12(14(26)25-16)27-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1
InChIKeyCJVBJIGKANEXQG-MRXNPFEDSA-N
MW392.27 g/mol
LogP4.40
Rot. Bonds2

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

(3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499520) has the molecular formula C17H11F7N2O and a molecular weight of 392.27 g/mol. Its IUPAC name is (3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499520
Molecular FormulaC17H11F7N2O
Molecular Weight392.27 g/mol
Exact Mass392.08
IUPAC Name(3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1ccc2c(c1F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H11F7N2O/c18-11-2-1-10-9(13(11)19)3-4-16(10)7-26-6-8(17(22,23)24)5-12(14(26)25-16)27-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1
InChIKeyCJVBJIGKANEXQG-MRXNPFEDSA-N
XLogP4.40
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] (CID 166499520) is (3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] is Fc1ccc2c(c1F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is CJVBJIGKANEXQG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H11F7N2O/c18-11-2-1-10-9(13(11)19)3-4-16(10)7-26-6-8(17(22,23)24)5-12(14(26)25-16)27-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1.
What are the key properties of (3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
(3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 392.27 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8'-(difluoromethoxy)-6,7-difluoro-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).