1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole

C11H16F2N2 — CID 141403719

IUPAC1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole
SMILESCc1cn(C2(C)CCC(F)(F)CC2)cn1
InChIInChI=1S/C11H16F2N2/c1-9-7-15(8-14-9)10(2)3-5-11(12,13)6-4-10/h7-8H,3-6H2,1-2H3
InChIKeyPUDKREDSXBLAMM-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.12
Rot. Bonds1

About 1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole

1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole (PubChem CID 141403719) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole.

Molecular Properties

Compound Name1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole
PubChem CID141403719
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole
SMILESCc1cn(C2(C)CCC(F)(F)CC2)cn1
InChIInChI=1S/C11H16F2N2/c1-9-7-15(8-14-9)10(2)3-5-11(12,13)6-4-10/h7-8H,3-6H2,1-2H3
InChIKeyPUDKREDSXBLAMM-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.12
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-tert-Butyl-5-methyl-1H-imidazole
CID 12361265
1-Heptyl-4-methylimidazole
CID 21858038
1-Octyl-4-methylimidazole
CID 21858039
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 119043941
1-(5-Methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole
CID 22891118
5,5,5-Trifluoro-2-isocyano-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]pentanenitrile
CID 57712430
1-Tert-butyl-4-(trifluoromethyl)imidazole
CID 58488253
4-Propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole
CID 68029803
4-Methyl-1-(2,2,2-trifluoroethyl)imidazole
CID 68053290
1-(2,2-Difluoroethyl)-4-propan-2-ylimidazole
CID 68164707

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole?
The IUPAC name of 1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole (CID 141403719) is 1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole.
What is the SMILES notation for 1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole?
The canonical SMILES for 1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole is Cc1cn(C2(C)CCC(F)(F)CC2)cn1.
What is the InChIKey of 1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole?
The InChIKey is PUDKREDSXBLAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-9-7-15(8-14-9)10(2)3-5-11(12,13)6-4-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole?
1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole has a molecular weight of 214.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-1-methylcyclohexyl)-4-methylimidazole is sourced from PubChem (CID 141403719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).