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

C5H6F2N2OS — CID 54308287

IUPAC4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride
SMILESCc1nc(CF)cn1S(=O)F
InChIInChI=1S/C5H6F2N2OS/c1-4-8-5(2-6)3-9(4)11(7)10/h3H,2H2,1H3
InChIKeySJBUVLOUYUKIDM-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.06
Rot. Bonds2

About 4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride

4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride (PubChem CID 54308287) has the molecular formula C5H6F2N2OS and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride
PubChem CID54308287
Molecular FormulaC5H6F2N2OS
Molecular Weight180.18 g/mol
Exact Mass180.02
IUPAC Name4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride
SMILESCc1nc(CF)cn1S(=O)F
InChIInChI=1S/C5H6F2N2OS/c1-4-8-5(2-6)3-9(4)11(7)10/h3H,2H2,1H3
InChIKeySJBUVLOUYUKIDM-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 4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride?
The IUPAC name of 4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride (CID 54308287) is 4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride.
What is the SMILES notation for 4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride?
The canonical SMILES for 4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride is Cc1nc(CF)cn1S(=O)F.
What is the InChIKey of 4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride?
The InChIKey is SJBUVLOUYUKIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2OS/c1-4-8-5(2-6)3-9(4)11(7)10/h3H,2H2,1H3.
What are the key properties of 4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride?
4-(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 4-(fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride is sourced from PubChem (CID 54308287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).