1-(2-fluoroethyl)-2-propan-2-ylimidazole

C8H13FN2 — CID 80694983

IUPAC1-(2-fluoroethyl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CCF
InChIInChI=1S/C8H13FN2/c1-7(2)8-10-4-6-11(8)5-3-9/h4,6-7H,3,5H2,1-2H3
InChIKeyYIHYEBJKZSXURO-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.98
Rot. Bonds3

About 1-(2-fluoroethyl)-2-propan-2-ylimidazole

1-(2-fluoroethyl)-2-propan-2-ylimidazole (PubChem CID 80694983) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-propan-2-ylimidazole
PubChem CID80694983
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name1-(2-fluoroethyl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CCF
InChIInChI=1S/C8H13FN2/c1-7(2)8-10-4-6-11(8)5-3-9/h4,6-7H,3,5H2,1-2H3
InChIKeyYIHYEBJKZSXURO-UHFFFAOYSA-N
XLogP1.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-butyl-2-propan-2-ylimidazole
CID 11506521
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine
CID 103482299
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
1-pent-3-ynyl-2-propan-2-ylimidazole
CID 104743992
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 28794327
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960
[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 107113824
4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline
CID 43519618

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-propan-2-ylimidazole?
The IUPAC name of 1-(2-fluoroethyl)-2-propan-2-ylimidazole (CID 80694983) is 1-(2-fluoroethyl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(2-fluoroethyl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-(2-fluoroethyl)-2-propan-2-ylimidazole is CC(C)c1nccn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-propan-2-ylimidazole?
The InChIKey is YIHYEBJKZSXURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-7(2)8-10-4-6-11(8)5-3-9/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-2-propan-2-ylimidazole?
1-(2-fluoroethyl)-2-propan-2-ylimidazole has a molecular weight of 156.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-propan-2-ylimidazole is sourced from PubChem (CID 80694983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).