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

C17H11ClF6N2O — CID 166499628

IUPAC(4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)(F)C1=CN2C[C@@]3(CCOc4cc(C(F)(F)F)ccc43)N=C2C(Cl)=C1
InChIInChI=1S/C17H11ClF6N2O/c18-12-5-10(17(22,23)24)7-26-8-15(25-14(12)26)3-4-27-13-6-9(16(19,20)21)1-2-11(13)15/h1-2,5-7H,3-4,8H2/t15-/m1/s1
InChIKeyUPSYFBQRQRJDRD-OAHLLOKOSA-N
MW408.73 g/mol
LogP4.98
Rot. Bonds

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

(4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499628) has the molecular formula C17H11ClF6N2O and a molecular weight of 408.73 g/mol. Its IUPAC name is (4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499628
Molecular FormulaC17H11ClF6N2O
Molecular Weight408.73 g/mol
Exact Mass408.05
IUPAC Name(4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)(F)C1=CN2C[C@@]3(CCOc4cc(C(F)(F)F)ccc43)N=C2C(Cl)=C1
InChIInChI=1S/C17H11ClF6N2O/c18-12-5-10(17(22,23)24)7-26-8-15(25-14(12)26)3-4-27-13-6-9(16(19,20)21)1-2-11(13)15/h1-2,5-7H,3-4,8H2/t15-/m1/s1
InChIKeyUPSYFBQRQRJDRD-OAHLLOKOSA-N
XLogP4.98
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499628) is (4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is FC(F)(F)C1=CN2C[C@@]3(CCOc4cc(C(F)(F)F)ccc43)N=C2C(Cl)=C1.
What is the InChIKey of (4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is UPSYFBQRQRJDRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H11ClF6N2O/c18-12-5-10(17(22,23)24)7-26-8-15(25-14(12)26)3-4-27-13-6-9(16(19,20)21)1-2-11(13)15/h1-2,5-7H,3-4,8H2/t15-/m1/s1.
What are the key properties of (4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 408.73 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8'-chloro-6',7-bis(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).