4-tert-butyl-5-fluoro-1-methylimidazole

C8H13FN2 — CID 146376877

IUPAC4-tert-butyl-5-fluoro-1-methylimidazole
SMILESCn1cnc(C(C)(C)C)c1F
InChIInChI=1S/C8H13FN2/c1-8(2,3)6-7(9)11(4)5-10-6/h5H,1-4H3
InChIKeyOULKFIKFIFOKSS-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.86
Rot. Bonds

About 4-tert-butyl-5-fluoro-1-methylimidazole

4-tert-butyl-5-fluoro-1-methylimidazole (PubChem CID 146376877) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 4-tert-butyl-5-fluoro-1-methylimidazole.

Molecular Properties

Compound Name4-tert-butyl-5-fluoro-1-methylimidazole
PubChem CID146376877
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name4-tert-butyl-5-fluoro-1-methylimidazole
SMILESCn1cnc(C(C)(C)C)c1F
InChIInChI=1S/C8H13FN2/c1-8(2,3)6-7(9)11(4)5-10-6/h5H,1-4H3
InChIKeyOULKFIKFIFOKSS-UHFFFAOYSA-N
XLogP1.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-fluoro-1-methylimidazole?
The IUPAC name of 4-tert-butyl-5-fluoro-1-methylimidazole (CID 146376877) is 4-tert-butyl-5-fluoro-1-methylimidazole.
What is the SMILES notation for 4-tert-butyl-5-fluoro-1-methylimidazole?
The canonical SMILES for 4-tert-butyl-5-fluoro-1-methylimidazole is Cn1cnc(C(C)(C)C)c1F.
What is the InChIKey of 4-tert-butyl-5-fluoro-1-methylimidazole?
The InChIKey is OULKFIKFIFOKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-8(2,3)6-7(9)11(4)5-10-6/h5H,1-4H3.
What are the key properties of 4-tert-butyl-5-fluoro-1-methylimidazole?
4-tert-butyl-5-fluoro-1-methylimidazole has a molecular weight of 156.20 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-fluoro-1-methylimidazole is sourced from PubChem (CID 146376877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).