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

C17H10ClF7N2O2 — CID 166499844

IUPAC(3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Cl)ccc2c1OC[C@H](F)[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H10ClF7N2O2/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
InChIKeyDBWQIZNKUXPGRQ-MEDUHNTESA-N
MW442.72 g/mol
LogP4.70
Rot. Bonds2

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

(3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499844) has the molecular formula C17H10ClF7N2O2 and a molecular weight of 442.72 g/mol. Its IUPAC name is (3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499844
Molecular FormulaC17H10ClF7N2O2
Molecular Weight442.72 g/mol
Exact Mass442.03
IUPAC Name(3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Cl)ccc2c1OC[C@H](F)[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H10ClF7N2O2/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
InChIKeyDBWQIZNKUXPGRQ-MEDUHNTESA-N
XLogP4.70
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.72
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-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 (3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499844) is (3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(Cl)ccc2c1OC[C@H](F)[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is DBWQIZNKUXPGRQ-MEDUHNTESA-N. The full InChI is InChI=1S/C17H10ClF7N2O2/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)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 442.72 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-7-chloro-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).