1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole

C10H11F3N2 — CID 177142113

IUPAC1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole
SMILESFC(F)(F)c1cn(C2=CCCCC2)cn1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)9-6-15(7-14-9)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2
InChIKeyYVFDCVFIQVZMSL-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.32
Rot. Bonds1

About 1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole

1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole (PubChem CID 177142113) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole
PubChem CID177142113
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole
SMILESFC(F)(F)c1cn(C2=CCCCC2)cn1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)9-6-15(7-14-9)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2
InChIKeyYVFDCVFIQVZMSL-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Imidazole, 4-methyl-1-pentyl
CID 529337
1H-Imidazole, 5-methyl-1-pentyl
CID 529339
1-Heptyl-4-methylimidazole
CID 21858038
2-Fluoro-1,4-bis(prop-2-enyl)imidazole
CID 20432369
1-(5-Methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole
CID 22891118
4-Propyl-1-(3,3,3-trifluoropropyl)imidazole
CID 57872136
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
5-Ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole
CID 59746127
5-(4-Methylimidazol-1-yl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 67208851
4-Propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole
CID 68029803

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole (CID 177142113) is 1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole is FC(F)(F)c1cn(C2=CCCCC2)cn1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole?
The InChIKey is YVFDCVFIQVZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)9-6-15(7-14-9)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2.
What are the key properties of 1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole?
1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole has a molecular weight of 216.21 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 177142113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).