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

C18H11F9N2O2 — CID 166499660

IUPAC(4S)-8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(C(F)(F)F)ccc2c1OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H11F9N2O2/c19-12-9(18(25,26)27)1-2-10-13(12)30-4-3-16(10)7-29-6-8(17(22,23)24)5-11(14(29)28-16)31-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1
InChIKeyLLNKRCRLWUBQAC-MRXNPFEDSA-N
MW458.28 g/mol
LogP5.12
Rot. Bonds2

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

(4S)-8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499660) has the molecular formula C18H11F9N2O2 and a molecular weight of 458.28 g/mol. Its IUPAC name is (4S)-8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499660
Molecular FormulaC18H11F9N2O2
Molecular Weight458.28 g/mol
Exact Mass458.07
IUPAC Name(4S)-8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(C(F)(F)F)ccc2c1OCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H11F9N2O2/c19-12-9(18(25,26)27)1-2-10-13(12)30-4-3-16(10)7-29-6-8(17(22,23)24)5-11(14(29)28-16)31-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1
InChIKeyLLNKRCRLWUBQAC-MRXNPFEDSA-N
XLogP5.12
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.28
LogP ≤ 55.12
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',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499660) is (4S)-8'-(difluoromethoxy)-8-fluoro-6',7-bis(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',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(C(F)(F)F)ccc2c1OCC[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',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is LLNKRCRLWUBQAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H11F9N2O2/c19-12-9(18(25,26)27)1-2-10-13(12)30-4-3-16(10)7-29-6-8(17(22,23)24)5-11(14(29)28-16)31-15(20)21/h1-2,5-6,15H,3-4,7H2/t16-/m1/s1.
What are the key properties of (4S)-8'-(difluoromethoxy)-8-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8'-(difluoromethoxy)-8-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 5.12, 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',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).