2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol

C12H11F3N2OS — CID 75376233

IUPAC2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol
SMILESOc1ccccc1SCc1nccn1CC(F)(F)F
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)8-17-6-5-16-11(17)7-19-10-4-2-1-3-9(10)18/h1-6,18H,7-8H2
InChIKeyRURVTYGSYGBQKT-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.44
Rot. Bonds4

About 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol

2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol (PubChem CID 75376233) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol
PubChem CID75376233
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol
SMILESOc1ccccc1SCc1nccn1CC(F)(F)F
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)8-17-6-5-16-11(17)7-19-10-4-2-1-3-9(10)18/h1-6,18H,7-8H2
InChIKeyRURVTYGSYGBQKT-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol (CID 75376233) is 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol is Oc1ccccc1SCc1nccn1CC(F)(F)F.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol?
The InChIKey is RURVTYGSYGBQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-12(14,15)8-17-6-5-16-11(17)7-19-10-4-2-1-3-9(10)18/h1-6,18H,7-8H2.
What are the key properties of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol?
2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol has a molecular weight of 288.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]phenol is sourced from PubChem (CID 75376233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).