2-(1-fluorocyclohexyl)-1-methylimidazole

C10H15FN2 — CID 144881704

IUPAC2-(1-fluorocyclohexyl)-1-methylimidazole
SMILESCn1ccnc1C1(F)CCCCC1
InChIInChI=1S/C10H15FN2/c1-13-8-7-12-9(13)10(11)5-3-2-4-6-10/h7-8H,2-6H2,1H3
InChIKeyXUFNZQOQRGAEKY-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.55
Rot. Bonds1

About 2-(1-fluorocyclohexyl)-1-methylimidazole

2-(1-fluorocyclohexyl)-1-methylimidazole (PubChem CID 144881704) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(1-fluorocyclohexyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(1-fluorocyclohexyl)-1-methylimidazole
PubChem CID144881704
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-(1-fluorocyclohexyl)-1-methylimidazole
SMILESCn1ccnc1C1(F)CCCCC1
InChIInChI=1S/C10H15FN2/c1-13-8-7-12-9(13)10(11)5-3-2-4-6-10/h7-8H,2-6H2,1H3
InChIKeyXUFNZQOQRGAEKY-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclohexyl)-1-methylimidazole?
The IUPAC name of 2-(1-fluorocyclohexyl)-1-methylimidazole (CID 144881704) is 2-(1-fluorocyclohexyl)-1-methylimidazole.
What is the SMILES notation for 2-(1-fluorocyclohexyl)-1-methylimidazole?
The canonical SMILES for 2-(1-fluorocyclohexyl)-1-methylimidazole is Cn1ccnc1C1(F)CCCCC1.
What is the InChIKey of 2-(1-fluorocyclohexyl)-1-methylimidazole?
The InChIKey is XUFNZQOQRGAEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-13-8-7-12-9(13)10(11)5-3-2-4-6-10/h7-8H,2-6H2,1H3.
What are the key properties of 2-(1-fluorocyclohexyl)-1-methylimidazole?
2-(1-fluorocyclohexyl)-1-methylimidazole has a molecular weight of 182.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclohexyl)-1-methylimidazole is sourced from PubChem (CID 144881704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).