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

C17H10F8N2O2 — CID 166499656

IUPAC(3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1ccc2c(c1F)OC[C@H](F)[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H10F8N2O2/c18-9-2-1-8-13(12(9)20)28-5-11(19)16(8)6-27-4-7(17(23,24)25)3-10(14(27)26-16)29-15(21)22/h1-4,11,15H,5-6H2/t11-,16+/m0/s1
InChIKeyMZSMZEBNJWAARN-MEDUHNTESA-N
MW426.26 g/mol
LogP4.19
Rot. Bonds2

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

(3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499656) has the molecular formula C17H10F8N2O2 and a molecular weight of 426.26 g/mol. Its IUPAC name is (3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499656
Molecular FormulaC17H10F8N2O2
Molecular Weight426.26 g/mol
Exact Mass426.06
IUPAC Name(3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1ccc2c(c1F)OC[C@H](F)[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H10F8N2O2/c18-9-2-1-8-13(12(9)20)28-5-11(19)16(8)6-27-4-7(17(23,24)25)3-10(14(27)26-16)29-15(21)22/h1-4,11,15H,5-6H2/t11-,16+/m0/s1
InChIKeyMZSMZEBNJWAARN-MEDUHNTESA-N
XLogP4.19
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.26
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499656) is (3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1ccc2c(c1F)OC[C@H](F)[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is MZSMZEBNJWAARN-MEDUHNTESA-N. The full InChI is InChI=1S/C17H10F8N2O2/c18-9-2-1-8-13(12(9)20)28-5-11(19)16(8)6-27-4-7(17(23,24)25)3-10(14(27)26-16)29-15(21)22/h1-4,11,15H,5-6H2/t11-,16+/m0/s1.
What are the key properties of (3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 426.26 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-8'-(difluoromethoxy)-3,7,8-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).