5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride

C5H6F2N2OS — CID 54094555

IUPAC5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride
SMILESCc1ncc(CF)n1S(=O)F
InChIInChI=1S/C5H6F2N2OS/c1-4-8-3-5(2-6)9(4)11(7)10/h3H,2H2,1H3
InChIKeyMWETZAJAOLSLER-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.06
Rot. Bonds2

About 5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride

5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride (PubChem CID 54094555) has the molecular formula C5H6F2N2OS and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride.

Molecular Properties

Compound Name5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride
PubChem CID54094555
Molecular FormulaC5H6F2N2OS
Molecular Weight180.18 g/mol
Exact Mass180.02
IUPAC Name5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride
SMILESCc1ncc(CF)n1S(=O)F
InChIInChI=1S/C5H6F2N2OS/c1-4-8-3-5(2-6)9(4)11(7)10/h3H,2H2,1H3
InChIKeyMWETZAJAOLSLER-UHFFFAOYSA-N
XLogP1.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride?
The IUPAC name of 5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride (CID 54094555) is 5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride.
What is the SMILES notation for 5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride?
The canonical SMILES for 5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride is Cc1ncc(CF)n1S(=O)F.
What is the InChIKey of 5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride?
The InChIKey is MWETZAJAOLSLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2OS/c1-4-8-3-5(2-6)9(4)11(7)10/h3H,2H2,1H3.
What are the key properties of 5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride?
5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride has a molecular weight of 180.18 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride is sourced from PubChem (CID 54094555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).