1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride

C8H12ClFN2O2S — CID 80695280

IUPAC1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCC(C)c1nc(S(=O)(=O)Cl)cn1CCF
InChIInChI=1S/C8H12ClFN2O2S/c1-6(2)8-11-7(15(9,13)14)5-12(8)4-3-10/h5-6H,3-4H2,1-2H3
InChIKeyDCLQMGUSZPDLET-UHFFFAOYSA-N
MW254.71 g/mol
LogP1.90
Rot. Bonds4

About 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride

1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride (PubChem CID 80695280) has the molecular formula C8H12ClFN2O2S and a molecular weight of 254.71 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride
PubChem CID80695280
Molecular FormulaC8H12ClFN2O2S
Molecular Weight254.71 g/mol
Exact Mass254.03
IUPAC Name1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCC(C)c1nc(S(=O)(=O)Cl)cn1CCF
InChIInChI=1S/C8H12ClFN2O2S/c1-6(2)8-11-7(15(9,13)14)5-12(8)4-3-10/h5-6H,3-4H2,1-2H3
InChIKeyDCLQMGUSZPDLET-UHFFFAOYSA-N
XLogP1.90
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride (CID 80695280) is 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride is CC(C)c1nc(S(=O)(=O)Cl)cn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride?
The InChIKey is DCLQMGUSZPDLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClFN2O2S/c1-6(2)8-11-7(15(9,13)14)5-12(8)4-3-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride?
1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride has a molecular weight of 254.71 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 80695280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).