2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole

C10H12F2N2 — CID 59005672

IUPAC2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole
SMILESCn1ccnc1C1=CCCCC1(F)F
InChIInChI=1S/C10H12F2N2/c1-14-7-6-13-9(14)8-4-2-3-5-10(8,11)12/h4,6-7H,2-3,5H2,1H3
InChIKeyVMXQXKXTCJUCCO-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.62
Rot. Bonds1

About 2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole

2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole (PubChem CID 59005672) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole.

Molecular Properties

Compound Name2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole
PubChem CID59005672
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole
SMILESCn1ccnc1C1=CCCCC1(F)F
InChIInChI=1S/C10H12F2N2/c1-14-7-6-13-9(14)8-4-2-3-5-10(8,11)12/h4,6-7H,2-3,5H2,1H3
InChIKeyVMXQXKXTCJUCCO-UHFFFAOYSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine
CID 86799407
1-(6-Fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
CID 56976663
Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
Iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
CID 59005808
1-Octyl-2-(2,2,2-trifluoroethyl)imidazole
CID 69095148
1-Oct-7-enyl-3-(2,2,2-trifluoroethyl)imidazol-3-ium
CID 87213149
1-Methyl-2-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)imidazole
CID 87287948
1-Methyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)imidazole
CID 87287949
2,2,2-trifluoro-1-[4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 117692647
2-[7-Chloro-2-methyl-5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-1-methylimidazole
CID 124013375
5-ethyl-6-[[2-(3-fluoro-4,5-dihydro-3H-azepin-2-yl)imidazol-1-yl]methyl]-3-(2-methylpropanimidoyl)pyrimidin-4-imine
CID 142996608

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole?
The IUPAC name of 2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole (CID 59005672) is 2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole.
What is the SMILES notation for 2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole?
The canonical SMILES for 2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole is Cn1ccnc1C1=CCCCC1(F)F.
What is the InChIKey of 2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole?
The InChIKey is VMXQXKXTCJUCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-14-7-6-13-9(14)8-4-2-3-5-10(8,11)12/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole?
2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole has a molecular weight of 198.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluorocyclohexen-1-yl)-1-methylimidazole is sourced from PubChem (CID 59005672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).