(3-ethylimidazol-4-yl)methanesulfonyl fluoride

C6H9FN2O2S — CID 131056914

IUPAC(3-ethylimidazol-4-yl)methanesulfonyl fluoride
SMILESCCn1cncc1CS(=O)(=O)F
InChIInChI=1S/C6H9FN2O2S/c1-2-9-5-8-3-6(9)4-12(7,10)11/h3,5H,2,4H2,1H3
InChIKeyAFWAMHDORHRNHL-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.70
Rot. Bonds3

About (3-ethylimidazol-4-yl)methanesulfonyl fluoride

(3-ethylimidazol-4-yl)methanesulfonyl fluoride (PubChem CID 131056914) has the molecular formula C6H9FN2O2S and a molecular weight of 192.21 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)methanesulfonyl fluoride
PubChem CID131056914
Molecular FormulaC6H9FN2O2S
Molecular Weight192.21 g/mol
Exact Mass192.04
IUPAC Name(3-ethylimidazol-4-yl)methanesulfonyl fluoride
SMILESCCn1cncc1CS(=O)(=O)F
InChIInChI=1S/C6H9FN2O2S/c1-2-9-5-8-3-6(9)4-12(7,10)11/h3,5H,2,4H2,1H3
InChIKeyAFWAMHDORHRNHL-UHFFFAOYSA-N
XLogP0.70
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)methanesulfonyl fluoride?
The IUPAC name of (3-ethylimidazol-4-yl)methanesulfonyl fluoride (CID 131056914) is (3-ethylimidazol-4-yl)methanesulfonyl fluoride.
What is the SMILES notation for (3-ethylimidazol-4-yl)methanesulfonyl fluoride?
The canonical SMILES for (3-ethylimidazol-4-yl)methanesulfonyl fluoride is CCn1cncc1CS(=O)(=O)F.
What is the InChIKey of (3-ethylimidazol-4-yl)methanesulfonyl fluoride?
The InChIKey is AFWAMHDORHRNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O2S/c1-2-9-5-8-3-6(9)4-12(7,10)11/h3,5H,2,4H2,1H3.
What are the key properties of (3-ethylimidazol-4-yl)methanesulfonyl fluoride?
(3-ethylimidazol-4-yl)methanesulfonyl fluoride has a molecular weight of 192.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)methanesulfonyl fluoride is sourced from PubChem (CID 131056914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).