1-tert-butyl-4,5-dichloro-2-fluoroimidazole

C7H9Cl2FN2 — CID 146377803

IUPAC1-tert-butyl-4,5-dichloro-2-fluoroimidazole
SMILESCC(C)(C)n1c(F)nc(Cl)c1Cl
InChIInChI=1S/C7H9Cl2FN2/c1-7(2,3)12-5(9)4(8)11-6(12)10/h1-3H3
InChIKeyJFLBMSSUUOSZAN-UHFFFAOYSA-N
MW211.07 g/mol
LogP3.08
Rot. Bonds

About 1-tert-butyl-4,5-dichloro-2-fluoroimidazole

1-tert-butyl-4,5-dichloro-2-fluoroimidazole (PubChem CID 146377803) has the molecular formula C7H9Cl2FN2 and a molecular weight of 211.07 g/mol. Its IUPAC name is 1-tert-butyl-4,5-dichloro-2-fluoroimidazole.

Molecular Properties

Compound Name1-tert-butyl-4,5-dichloro-2-fluoroimidazole
PubChem CID146377803
Molecular FormulaC7H9Cl2FN2
Molecular Weight211.07 g/mol
Exact Mass210.01
IUPAC Name1-tert-butyl-4,5-dichloro-2-fluoroimidazole
SMILESCC(C)(C)n1c(F)nc(Cl)c1Cl
InChIInChI=1S/C7H9Cl2FN2/c1-7(2,3)12-5(9)4(8)11-6(12)10/h1-3H3
InChIKeyJFLBMSSUUOSZAN-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3,5-difluoro-1,2,4-triazole
CID 146379599
2-tert-butyl-4,6-dichloro-5-fluoropyrimidine
CID 79033233
1-tert-butyl-3-chloro-4-fluoro-5-methylpyrazole
CID 146379013
1-tert-butyl-5-chloro-3-fluoro-1,2,4-triazole
CID 146378212
4-tert-butyl-2,6-dichloro-5-fluoropyrimidine
CID 84688088
4,6-dichloro-5-fluoro-2-(2-methoxypropan-2-yl)pyrimidine
CID 80550213
4-tert-butyl-3-(3-chloro-2-fluorophenyl)-1H-1,2,4-triazole-5-thione
CID 113300307
1-tert-butyl-2-fluoro-5-methylpyrrole
CID 146377950
3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one
CID 163821310
1-tert-butyl-5-fluoro-3-iodo-1,2,4-triazole
CID 146379217
1,4-dichloro-5,6,7,8-tetrafluorophthalazine
CID 166067248
4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine
CID 130506952

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,5-dichloro-2-fluoroimidazole?
The IUPAC name of 1-tert-butyl-4,5-dichloro-2-fluoroimidazole (CID 146377803) is 1-tert-butyl-4,5-dichloro-2-fluoroimidazole.
What is the SMILES notation for 1-tert-butyl-4,5-dichloro-2-fluoroimidazole?
The canonical SMILES for 1-tert-butyl-4,5-dichloro-2-fluoroimidazole is CC(C)(C)n1c(F)nc(Cl)c1Cl.
What is the InChIKey of 1-tert-butyl-4,5-dichloro-2-fluoroimidazole?
The InChIKey is JFLBMSSUUOSZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2FN2/c1-7(2,3)12-5(9)4(8)11-6(12)10/h1-3H3.
What are the key properties of 1-tert-butyl-4,5-dichloro-2-fluoroimidazole?
1-tert-butyl-4,5-dichloro-2-fluoroimidazole has a molecular weight of 211.07 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,5-dichloro-2-fluoroimidazole is sourced from PubChem (CID 146377803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).