1-tert-butyl-4-fluoroimidazole

C7H11FN2 — CID 146378054

IUPAC1-tert-butyl-4-fluoroimidazole
SMILESCC(C)(C)n1cnc(F)c1
InChIInChI=1S/C7H11FN2/c1-7(2,3)10-4-6(8)9-5-10/h4-5H,1-3H3
InChIKeyJSCAZPLUFCIMFG-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.78
Rot. Bonds

About 1-tert-butyl-4-fluoroimidazole

1-tert-butyl-4-fluoroimidazole (PubChem CID 146378054) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-tert-butyl-4-fluoroimidazole.

Molecular Properties

Compound Name1-tert-butyl-4-fluoroimidazole
PubChem CID146378054
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-tert-butyl-4-fluoroimidazole
SMILESCC(C)(C)n1cnc(F)c1
InChIInChI=1S/C7H11FN2/c1-7(2,3)10-4-6(8)9-5-10/h4-5H,1-3H3
InChIKeyJSCAZPLUFCIMFG-UHFFFAOYSA-N
XLogP1.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-tert-butylimidazol-4-yl)propan-2-one
CID 83875480
3-(1-tert-butylimidazol-4-yl)butanoic acid
CID 83885099
4-fluoro-1-(2-methoxyethyl)imidazole
CID 170388204
1-tert-butyl-4-chloro-3-fluoropyrazole
CID 146378812
1,3,4-tritert-butylpyrrole
CID 24977707
1-tert-butyl-3-(difluoromethyl)-4-fluoropyrazole
CID 148688487
1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole
CID 170205765
2,5-ditert-butylpyrrolo[3,4-c]pyrrole-4,6-dione
CID 58310195
3-methyl-3-(4-methylimidazol-1-yl)butan-2-one
CID 143428338
1-tert-butyl-3-(3,5-difluorophenyl)pyrazol-4-amine
CID 83222745
2-tert-butylisoindole
CID 12590665
5-tert-butyl-3-fluoro-1-methylpyrazole
CID 146376811

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-fluoroimidazole?
The IUPAC name of 1-tert-butyl-4-fluoroimidazole (CID 146378054) is 1-tert-butyl-4-fluoroimidazole.
What is the SMILES notation for 1-tert-butyl-4-fluoroimidazole?
The canonical SMILES for 1-tert-butyl-4-fluoroimidazole is CC(C)(C)n1cnc(F)c1.
What is the InChIKey of 1-tert-butyl-4-fluoroimidazole?
The InChIKey is JSCAZPLUFCIMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-7(2,3)10-4-6(8)9-5-10/h4-5H,1-3H3.
What are the key properties of 1-tert-butyl-4-fluoroimidazole?
1-tert-butyl-4-fluoroimidazole has a molecular weight of 142.18 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-fluoroimidazole is sourced from PubChem (CID 146378054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).