[2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol

C7H11FN2OS — CID 79839002

IUPAC[2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCCF
InChIInChI=1S/C7H11FN2OS/c1-10-6(5-11)4-9-7(10)12-3-2-8/h4,11H,2-3,5H2,1H3
InChIKeyITVRWDWTMUIPQB-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.97
Rot. Bonds4

About [2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol

[2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol (PubChem CID 79839002) has the molecular formula C7H11FN2OS and a molecular weight of 190.24 g/mol. Its IUPAC name is [2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol
PubChem CID79839002
Molecular FormulaC7H11FN2OS
Molecular Weight190.24 g/mol
Exact Mass190.06
IUPAC Name[2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCCF
InChIInChI=1S/C7H11FN2OS/c1-10-6(5-11)4-9-7(10)12-3-2-8/h4,11H,2-3,5H2,1H3
InChIKeyITVRWDWTMUIPQB-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol (CID 79839002) is [2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1SCCF.
What is the InChIKey of [2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol?
The InChIKey is ITVRWDWTMUIPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2OS/c1-10-6(5-11)4-9-7(10)12-3-2-8/h4,11H,2-3,5H2,1H3.
What are the key properties of [2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol?
[2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol has a molecular weight of 190.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroethylsulfanyl)-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 79839002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).