2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline

C15H18F3N3 — CID 116534236

IUPAC2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
SMILESCC(CCCC(F)(F)F)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C15H18F3N3/c1-12(5-4-8-15(16,17)18)20-13-6-2-3-7-14(13)21-10-9-19-11-21/h2-3,6-7,9-12,20H,4-5,8H2,1H3
InChIKeyCUELNHYVEJVVGU-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.41
Rot. Bonds6

About 2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline

2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline (PubChem CID 116534236) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
PubChem CID116534236
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
SMILESCC(CCCC(F)(F)F)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C15H18F3N3/c1-12(5-4-8-15(16,17)18)20-13-6-2-3-7-14(13)21-10-9-19-11-21/h2-3,6-7,9-12,20H,4-5,8H2,1H3
InChIKeyCUELNHYVEJVVGU-UHFFFAOYSA-N
XLogP4.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534254
2-(2-imidazol-1-ylanilino)butanoic acid
CID 115352432
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine
CID 116534270
N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119844180
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine
CID 116534255
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842536
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide
CID 60849200

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The IUPAC name of 2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline (CID 116534236) is 2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline.
What is the SMILES notation for 2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The canonical SMILES for 2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline is CC(CCCC(F)(F)F)Nc1ccccc1-n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The InChIKey is CUELNHYVEJVVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-12(5-4-8-15(16,17)18)20-13-6-2-3-7-14(13)21-10-9-19-11-21/h2-3,6-7,9-12,20H,4-5,8H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline?
2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline has a molecular weight of 297.32 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline is sourced from PubChem (CID 116534236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).