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

C9H16FN3OS — CID 54418187

IUPAC4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride
SMILESCCN(CC)Cc1cn(S(=O)F)c(C)n1
InChIInChI=1S/C9H16FN3OS/c1-4-12(5-2)6-9-7-13(15(10)14)8(3)11-9/h7H,4-6H2,1-3H3
InChIKeyVYXURPZCDLIFLR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.43
Rot. Bonds5

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

4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride (PubChem CID 54418187) has the molecular formula C9H16FN3OS and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride.

Molecular Properties

Compound Name4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride
PubChem CID54418187
Molecular FormulaC9H16FN3OS
Molecular Weight233.31 g/mol
Exact Mass233.10
IUPAC Name4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride
SMILESCCN(CC)Cc1cn(S(=O)F)c(C)n1
InChIInChI=1S/C9H16FN3OS/c1-4-12(5-2)6-9-7-13(15(10)14)8(3)11-9/h7H,4-6H2,1-3H3
InChIKeyVYXURPZCDLIFLR-UHFFFAOYSA-N
XLogP1.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride?
The IUPAC name of 4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride (CID 54418187) is 4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride.
What is the SMILES notation for 4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride?
The canonical SMILES for 4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride is CCN(CC)Cc1cn(S(=O)F)c(C)n1.
What is the InChIKey of 4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride?
The InChIKey is VYXURPZCDLIFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3OS/c1-4-12(5-2)6-9-7-13(15(10)14)8(3)11-9/h7H,4-6H2,1-3H3.
What are the key properties of 4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride?
4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride has a molecular weight of 233.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-2-methylimidazole-1-sulfinyl fluoride is sourced from PubChem (CID 54418187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).