2-(4,4-difluorocyclohexyl)-1-methylimidazole

C10H14F2N2 — CID 171075527

IUPAC2-(4,4-difluorocyclohexyl)-1-methylimidazole
SMILESCn1ccnc1C1CCC(F)(F)CC1
InChIInChI=1S/C10H14F2N2/c1-14-7-6-13-9(14)8-2-4-10(11,12)5-3-8/h6-8H,2-5H2,1H3
InChIKeyBSZZQMHXCQWBRS-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.71
Rot. Bonds1

About 2-(4,4-difluorocyclohexyl)-1-methylimidazole

2-(4,4-difluorocyclohexyl)-1-methylimidazole (PubChem CID 171075527) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-1-methylimidazole
PubChem CID171075527
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name2-(4,4-difluorocyclohexyl)-1-methylimidazole
SMILESCn1ccnc1C1CCC(F)(F)CC1
InChIInChI=1S/C10H14F2N2/c1-14-7-6-13-9(14)8-2-4-10(11,12)5-3-8/h6-8H,2-5H2,1H3
InChIKeyBSZZQMHXCQWBRS-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-1-methylimidazole?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-1-methylimidazole (CID 171075527) is 2-(4,4-difluorocyclohexyl)-1-methylimidazole.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-1-methylimidazole?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-1-methylimidazole is Cn1ccnc1C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-1-methylimidazole?
The InChIKey is BSZZQMHXCQWBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-14-7-6-13-9(14)8-2-4-10(11,12)5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-1-methylimidazole?
2-(4,4-difluorocyclohexyl)-1-methylimidazole has a molecular weight of 200.23 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-1-methylimidazole is sourced from PubChem (CID 171075527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).