(4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]

C17H12F6N2O2 — CID 166499633

IUPAC(4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1cccc2c1COC[C@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H12F6N2O2/c18-12-3-1-2-11-10(12)6-26-8-16(11)7-25-5-9(17(21,22)23)4-13(14(25)24-16)27-15(19)20/h1-5,15H,6-8H2/t16-/m1/s1
InChIKeyDBSUSPUHILERJV-MRXNPFEDSA-N
MW390.28 g/mol
LogP3.85
Rot. Bonds2

About (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]

(4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499633) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499633
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC Name(4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1cccc2c1COC[C@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H12F6N2O2/c18-12-3-1-2-11-10(12)6-26-8-16(11)7-25-5-9(17(21,22)23)4-13(14(25)24-16)27-15(19)20/h1-5,15H,6-8H2/t16-/m1/s1
InChIKeyDBSUSPUHILERJV-MRXNPFEDSA-N
XLogP3.85
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] with MolForge

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Related Compounds

(5S)-8'-(difluoromethoxy)-9-fluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]
CID 166499582
8'-(difluoromethoxy)-6',8-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499555
8-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499852
8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499648
6-bromo-4-chloro-8'-(difluoromethoxy)-5-fluoro-4-iodo-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]
CID 176697408
(4S)-8'-(difluoromethoxy)-8-fluoro-7-(trifluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499559
(3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499656
1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]
CID 176697409
(3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 174231636
[4-[[3-(difluoromethoxy)-5-[2-(trifluoromethoxy)ethyl]-2-pyridinyl]amino]-8-fluoro-1,3-dihydroisochromen-4-yl]methanol
CID 175392858
2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene
CID 118814732
5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione
CID 88593632

Frequently Asked Questions

What is the IUPAC name of (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499633) is (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1cccc2c1COC[C@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is DBSUSPUHILERJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c18-12-3-1-2-11-10(12)6-26-8-16(11)7-25-5-9(17(21,22)23)4-13(14(25)24-16)27-15(19)20/h1-5,15H,6-8H2/t16-/m1/s1.
What are the key properties of (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 390.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).