1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole

C13H18F4N2 — CID 141394709

IUPAC1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
SMILESCc1cn(CC2CCC(F)(F)CC2)c(C(C)(F)F)n1
InChIInChI=1S/C13H18F4N2/c1-9-7-19(11(18-9)12(2,14)15)8-10-3-5-13(16,17)6-4-10/h7,10H,3-6,8H2,1-2H3
InChIKeyVRPXXSAIRKOJOZ-UHFFFAOYSA-N
MW278.29 g/mol
LogP4.13
Rot. Bonds3

About 1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole

1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole (PubChem CID 141394709) has the molecular formula C13H18F4N2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
PubChem CID141394709
Molecular FormulaC13H18F4N2
Molecular Weight278.29 g/mol
Exact Mass278.14
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
SMILESCc1cn(CC2CCC(F)(F)CC2)c(C(C)(F)F)n1
InChIInChI=1S/C13H18F4N2/c1-9-7-19(11(18-9)12(2,14)15)8-10-3-5-13(16,17)6-4-10/h7,10H,3-6,8H2,1-2H3
InChIKeyVRPXXSAIRKOJOZ-UHFFFAOYSA-N
XLogP4.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole (CID 141394709) is 1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole is Cc1cn(CC2CCC(F)(F)CC2)c(C(C)(F)F)n1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole?
The InChIKey is VRPXXSAIRKOJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N2/c1-9-7-19(11(18-9)12(2,14)15)8-10-3-5-13(16,17)6-4-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole?
1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole has a molecular weight of 278.29 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole is sourced from PubChem (CID 141394709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).