2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol

C13H10F6N2O — CID 172585714

IUPAC2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C13H10F6N2O/c1-21-6-9(12(14,15)16)20-11(21)8-4-2-7(3-5-8)10(22)13(17,18)19/h2-6,10,22H,1H3
InChIKeyLEYGOYXHTKCDGR-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.70
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol

2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol (PubChem CID 172585714) has the molecular formula C13H10F6N2O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
PubChem CID172585714
Molecular FormulaC13H10F6N2O
Molecular Weight324.22 g/mol
Exact Mass324.07
IUPAC Name2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C13H10F6N2O/c1-21-6-9(12(14,15)16)20-11(21)8-4-2-7(3-5-8)10(22)13(17,18)19/h2-6,10,22H,1H3
InChIKeyLEYGOYXHTKCDGR-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{4-[(1H-Imidazol-1-yl)methyl]phenyl}methanol
CID 15594569
(1-methyl-2-phenyl-1H-imidazol-5-yl)methanol
CID 320833
5-(p-Hydroxymethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 13688218
1-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1H-imidazol-5-yl)-2-methylpropan-1-ol
CID 44407163
(E)-3-(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)acrylonitrile
CID 44407205
2-(4-(2-sec-butyl-5-(1-hydroxyethyl)-1H-imidazol-1-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 44407231
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407263
[1-methyl-2-(propan-2-yl)-1H-imidazol-5-yl](phenyl)methanol
CID 3291165
5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium
CID 3240397
2-(4-(2-sec-butyl-5-(hydroxy(phenyl)methyl)-1H-imidazol-1-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 44407260
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-isopropyl-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407262
(4-ethylphenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942827

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol (CID 172585714) is 2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol is Cn1cc(C(F)(F)F)nc1-c1ccc(C(O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
The InChIKey is LEYGOYXHTKCDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N2O/c1-21-6-9(12(14,15)16)20-11(21)8-4-2-7(3-5-8)10(22)13(17,18)19/h2-6,10,22H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol has a molecular weight of 324.22 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol is sourced from PubChem (CID 172585714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).