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

C17H12F6N2O2 — CID 166499806

IUPAC(4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1cccc2c1OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H12F6N2O2/c18-11-3-1-2-10-13(11)26-5-4-16(10)8-25-7-9(17(21,22)23)6-12(14(25)24-16)27-15(19)20/h1-3,6-7,15H,4-5,8H2/t16-/m1/s1
InChIKeyUDKFBYLVSIVCIJ-MRXNPFEDSA-N
MW390.28 g/mol
LogP4.10
Rot. Bonds2

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

(4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499806) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is (4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499806
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC Name(4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1cccc2c1OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H12F6N2O2/c18-11-3-1-2-10-13(11)26-5-4-16(10)8-25-7-9(17(21,22)23)6-12(14(25)24-16)27-15(19)20/h1-3,6-7,15H,4-5,8H2/t16-/m1/s1
InChIKeyUDKFBYLVSIVCIJ-MRXNPFEDSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499806) is (4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1cccc2c1OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is UDKFBYLVSIVCIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c18-11-3-1-2-10-13(11)26-5-4-16(10)8-25-7-9(17(21,22)23)6-12(14(25)24-16)27-15(19)20/h1-3,6-7,15H,4-5,8H2/t16-/m1/s1.
What are the key properties of (4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 390.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).