2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine

C10H8F5N3 — CID 162563501

IUPAC2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine
SMILESCn1cc(C(F)(F)F)nc1C1=C(F)N=C(F)CC1
InChIInChI=1S/C10H8F5N3/c1-18-4-6(10(13,14)15)16-9(18)5-2-3-7(11)17-8(5)12/h4H,2-3H2,1H3
InChIKeyJKFFQISJSUKZEX-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.24
Rot. Bonds1

About 2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine

2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine (PubChem CID 162563501) has the molecular formula C10H8F5N3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Name2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine
PubChem CID162563501
Molecular FormulaC10H8F5N3
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine
SMILESCn1cc(C(F)(F)F)nc1C1=C(F)N=C(F)CC1
InChIInChI=1S/C10H8F5N3/c1-18-4-6(10(13,14)15)16-9(18)5-2-3-7(11)17-8(5)12/h4H,2-3H2,1H3
InChIKeyJKFFQISJSUKZEX-UHFFFAOYSA-N
XLogP3.24
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
2,5-Dimethyl-1-(trifluoromethyl)imidazole
CID 20719682
1-(5-Methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole
CID 22891118
1,4-Dimethyl-2-(trifluoromethyl)-1H-imidazole
CID 45088818
4-Propyl-1-(3,3,3-trifluoropropyl)imidazole
CID 57872136
1,5-Dimethyl-2-(trifluoromethyl)-1H-imidazole
CID 57913996
4-Tert-butyl-1-(2,2,2-trifluoroethyl)imidazole
CID 58049411
1-Tert-butyl-4-(trifluoromethyl)imidazole
CID 58488253
1,5-Dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole;iridium
CID 59005654
1-(2-Fluoroethyl)-4-propylimidazole
CID 59383101
4-Methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
CID 59431281

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine?
The IUPAC name of 2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine (CID 162563501) is 2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine.
What is the SMILES notation for 2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine?
The canonical SMILES for 2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine is Cn1cc(C(F)(F)F)nc1C1=C(F)N=C(F)CC1.
What is the InChIKey of 2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine?
The InChIKey is JKFFQISJSUKZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N3/c1-18-4-6(10(13,14)15)16-9(18)5-2-3-7(11)17-8(5)12/h4H,2-3H2,1H3.
What are the key properties of 2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine?
2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine has a molecular weight of 265.19 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine is sourced from PubChem (CID 162563501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).