[4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

C13H12F4N2O — CID 162378363

IUPAC[4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2nc(C(F)(F)F)cn2CCF)cc1
InChIInChI=1S/C13H12F4N2O/c14-5-6-19-7-11(13(15,16)17)18-12(19)10-3-1-9(8-20)2-4-10/h1-4,7,20H,5-6,8H2
InChIKeyXITKJFTXTVMATL-UHFFFAOYSA-N
MW288.24 g/mol
LogP3.03
Rot. Bonds4

About [4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

[4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (PubChem CID 162378363) has the molecular formula C13H12F4N2O and a molecular weight of 288.24 g/mol. Its IUPAC name is [4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
PubChem CID162378363
Molecular FormulaC13H12F4N2O
Molecular Weight288.24 g/mol
Exact Mass288.09
IUPAC Name[4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2nc(C(F)(F)F)cn2CCF)cc1
InChIInChI=1S/C13H12F4N2O/c14-5-6-19-7-11(13(15,16)17)18-12(19)10-3-1-9(8-20)2-4-10/h1-4,7,20H,5-6,8H2
InChIKeyXITKJFTXTVMATL-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The IUPAC name of [4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (CID 162378363) is [4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The canonical SMILES for [4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is OCc1ccc(-c2nc(C(F)(F)F)cn2CCF)cc1.
What is the InChIKey of [4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The InChIKey is XITKJFTXTVMATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O/c14-5-6-19-7-11(13(15,16)17)18-12(19)10-3-1-9(8-20)2-4-10/h1-4,7,20H,5-6,8H2.
What are the key properties of [4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
[4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol has a molecular weight of 288.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-fluoroethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is sourced from PubChem (CID 162378363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).