[3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol

C8H11F3N2OS — CID 66149423

IUPAC[3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCCC(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-13-6(5-14)4-12-7(13)15-3-2-8(9,10)11/h4,14H,2-3,5H2,1H3
InChIKeyYQKRXQZSBFNZRH-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.96
Rot. Bonds4

About [3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol

[3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol (PubChem CID 66149423) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is [3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol
PubChem CID66149423
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name[3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCCC(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-13-6(5-14)4-12-7(13)15-3-2-8(9,10)11/h4,14H,2-3,5H2,1H3
InChIKeyYQKRXQZSBFNZRH-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol (CID 66149423) is [3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol is Cn1c(CO)cnc1SCCC(F)(F)F.
What is the InChIKey of [3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol?
The InChIKey is YQKRXQZSBFNZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-13-6(5-14)4-12-7(13)15-3-2-8(9,10)11/h4,14H,2-3,5H2,1H3.
What are the key properties of [3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol?
[3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol has a molecular weight of 240.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol is sourced from PubChem (CID 66149423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).