fluoroform;1-hexyl-2-methylimidazole

C11H19F3N2 — CID 174860235

IUPACfluoroform;1-hexyl-2-methylimidazole
SMILESCCCCCCn1ccnc1C.FC(F)F
InChIInChI=1S/C10H18N2.CHF3/c1-3-4-5-6-8-12-9-7-11-10(12)2;2-1(3)4/h7,9H,3-6,8H2,1-2H3;1H
InChIKeyBBSJLRQOVVHWKM-UHFFFAOYSA-N
MW236.28 g/mol
LogP3.95
Rot. Bonds5

About fluoroform;1-hexyl-2-methylimidazole

fluoroform;1-hexyl-2-methylimidazole (PubChem CID 174860235) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is fluoroform;1-hexyl-2-methylimidazole.

Molecular Properties

Compound Namefluoroform;1-hexyl-2-methylimidazole
PubChem CID174860235
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Namefluoroform;1-hexyl-2-methylimidazole
SMILESCCCCCCn1ccnc1C.FC(F)F
InChIInChI=1S/C10H18N2.CHF3/c1-3-4-5-6-8-12-9-7-11-10(12)2;2-1(3)4/h7,9H,3-6,8H2,1-2H3;1H
InChIKeyBBSJLRQOVVHWKM-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octadec-9-enylimidazole
CID 54514402
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide
CID 175335036
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
6-(2-methylimidazol-1-yl)hexan-3-ol
CID 106802505
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797

Frequently Asked Questions

What is the IUPAC name of fluoroform;1-hexyl-2-methylimidazole?
The IUPAC name of fluoroform;1-hexyl-2-methylimidazole (CID 174860235) is fluoroform;1-hexyl-2-methylimidazole.
What is the SMILES notation for fluoroform;1-hexyl-2-methylimidazole?
The canonical SMILES for fluoroform;1-hexyl-2-methylimidazole is CCCCCCn1ccnc1C.FC(F)F.
What is the InChIKey of fluoroform;1-hexyl-2-methylimidazole?
The InChIKey is BBSJLRQOVVHWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.CHF3/c1-3-4-5-6-8-12-9-7-11-10(12)2;2-1(3)4/h7,9H,3-6,8H2,1-2H3;1H.
What are the key properties of fluoroform;1-hexyl-2-methylimidazole?
fluoroform;1-hexyl-2-methylimidazole has a molecular weight of 236.28 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;1-hexyl-2-methylimidazole is sourced from PubChem (CID 174860235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).