1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole

C10H6F8N2 — CID 59005767

IUPAC1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
SMILESCn1ccnc1C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H6F8N2/c1-20-3-2-19-6(20)5-4-7(11,12)9(15,16)10(17,18)8(5,13)14/h2-4H,1H3
InChIKeyHODBNPQBAIYJNE-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.36
Rot. Bonds1

About 1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole

1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole (PubChem CID 59005767) has the molecular formula C10H6F8N2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
PubChem CID59005767
Molecular FormulaC10H6F8N2
Molecular Weight306.16 g/mol
Exact Mass306.04
IUPAC Name1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
SMILESCn1ccnc1C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H6F8N2/c1-20-3-2-19-6(20)5-4-7(11,12)9(15,16)10(17,18)8(5,13)14/h2-4H,1H3
InChIKeyHODBNPQBAIYJNE-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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-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
1-(3,3,4,4-Tetrafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
CID 87302890
2-[7-Chloro-2-methyl-5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-1-methylimidazole
CID 124013375
ethane;2-fluoro-N-[(Z)-prop-1-enyl]ethanimine;(Z)-[2,2,2-trifluoro-1-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]ethylidene]hydrazine
CID 142996741
2-[(3E)-4-fluoro-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-1-methylimidazole
CID 143913734
1-[(5Z,6Z)-5-ethylidene-8-(trifluoromethyl)nona-6,8-dienyl]imidazole
CID 145528045
2-(Cyclohexen-1-yl)-1-methylimidazole
CID 44195338
1,5-Dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
CID 59005655

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
The IUPAC name of 1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole (CID 59005767) is 1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole.
What is the SMILES notation for 1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
The canonical SMILES for 1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole is Cn1ccnc1C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
The InChIKey is HODBNPQBAIYJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8N2/c1-20-3-2-19-6(20)5-4-7(11,12)9(15,16)10(17,18)8(5,13)14/h2-4H,1H3.
What are the key properties of 1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole has a molecular weight of 306.16 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole is sourced from PubChem (CID 59005767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).