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

C11H8F8N2 — CID 59005655

IUPAC1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
SMILESCc1cnc(C2=CC(F)(F)C(F)(F)C(F)(F)C2(F)F)n1C
InChIInChI=1S/C11H8F8N2/c1-5-4-20-7(21(5)2)6-3-8(12,13)10(16,17)11(18,19)9(6,14)15/h3-4H,1-2H3
InChIKeyYXASFXBRJWVEQP-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.67
Rot. Bonds1

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

1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole (PubChem CID 59005655) has the molecular formula C11H8F8N2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
PubChem CID59005655
Molecular FormulaC11H8F8N2
Molecular Weight320.18 g/mol
Exact Mass320.06
IUPAC Name1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
SMILESCc1cnc(C2=CC(F)(F)C(F)(F)C(F)(F)C2(F)F)n1C
InChIInChI=1S/C11H8F8N2/c1-5-4-20-7(21(5)2)6-3-8(12,13)10(16,17)11(18,19)9(6,14)15/h3-4H,1-2H3
InChIKeyYXASFXBRJWVEQP-UHFFFAOYSA-N
XLogP3.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.67
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

1-(5-Methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole
CID 22891118
1,5-Dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole;iridium
CID 59005654
4-Methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
CID 59431281
5-(4-Methylimidazol-1-yl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 67208851
5-Ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
CID 87551398
6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine
CID 91009614
1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole
CID 121329221
2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole
CID 135158915
(Z)-2-fluoro-N,N-dimethyl-3-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]prop-1-en-1-amine
CID 141174268
1-[(4,4-Difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
CID 141394709
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-1-methyl-4-(trifluoromethyl)imidazole
CID 141974097
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methyl-4-(trifluoromethyl)imidazole
CID 141974373

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
The IUPAC name of 1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole (CID 59005655) is 1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole.
What is the SMILES notation for 1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
The canonical SMILES for 1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole is Cc1cnc(C2=CC(F)(F)C(F)(F)C(F)(F)C2(F)F)n1C.
What is the InChIKey of 1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
The InChIKey is YXASFXBRJWVEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F8N2/c1-5-4-20-7(21(5)2)6-3-8(12,13)10(16,17)11(18,19)9(6,14)15/h3-4H,1-2H3.
What are the key properties of 1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole has a molecular weight of 320.18 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole is sourced from PubChem (CID 59005655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).