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

C18H11F9N2O2 — CID 166499727

IUPAC(3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(N=C12)c1ccc(C(F)(F)F)cc1OC[C@@H]3F
InChIInChI=1S/C18H11F9N2O2/c19-13-6-30-11-3-8(17(22,23)24)1-2-10(11)16(13)7-29-5-9(18(25,26)27)4-12(14(29)28-16)31-15(20)21/h1-5,13,15H,6-7H2/t13-,16+/m0/s1
InChIKeyLEXFRLPAJFKADU-XJKSGUPXSA-N
MW458.28 g/mol
LogP4.93
Rot. Bonds2

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

(3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499727) has the molecular formula C18H11F9N2O2 and a molecular weight of 458.28 g/mol. Its IUPAC name is (3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499727
Molecular FormulaC18H11F9N2O2
Molecular Weight458.28 g/mol
Exact Mass458.07
IUPAC Name(3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(N=C12)c1ccc(C(F)(F)F)cc1OC[C@@H]3F
InChIInChI=1S/C18H11F9N2O2/c19-13-6-30-11-3-8(17(22,23)24)1-2-10(11)16(13)7-29-5-9(18(25,26)27)4-12(14(29)28-16)31-15(20)21/h1-5,13,15H,6-7H2/t13-,16+/m0/s1
InChIKeyLEXFRLPAJFKADU-XJKSGUPXSA-N
XLogP4.93
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.28
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(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)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499727) is (3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is FC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(N=C12)c1ccc(C(F)(F)F)cc1OC[C@@H]3F.
What is the InChIKey of (3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is LEXFRLPAJFKADU-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H11F9N2O2/c19-13-6-30-11-3-8(17(22,23)24)1-2-10(11)16(13)7-29-5-9(18(25,26)27)4-12(14(29)28-16)31-15(20)21/h1-5,13,15H,6-7H2/t13-,16+/m0/s1.
What are the key properties of (3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(3R,4S)-8'-(difluoromethoxy)-3-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 458.28 g/mol, XLogP of 4.93, 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-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).