2-[4-(trifluoromethyl)imidazol-1-yl]ethanol

C6H7F3N2O — CID 150764124

IUPAC2-[4-(trifluoromethyl)imidazol-1-yl]ethanol
SMILESOCCn1cnc(C(F)(F)F)c1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5-3-11(1-2-12)4-10-5/h3-4,12H,1-2H2
InChIKeyJYLNGVUWHSCKDR-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.89
Rot. Bonds2

About 2-[4-(trifluoromethyl)imidazol-1-yl]ethanol

2-[4-(trifluoromethyl)imidazol-1-yl]ethanol (PubChem CID 150764124) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)imidazol-1-yl]ethanol
PubChem CID150764124
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name2-[4-(trifluoromethyl)imidazol-1-yl]ethanol
SMILESOCCn1cnc(C(F)(F)F)c1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5-3-11(1-2-12)4-10-5/h3-4,12H,1-2H2
InChIKeyJYLNGVUWHSCKDR-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)imidazol-1-yl]ethanol?
The IUPAC name of 2-[4-(trifluoromethyl)imidazol-1-yl]ethanol (CID 150764124) is 2-[4-(trifluoromethyl)imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(trifluoromethyl)imidazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(trifluoromethyl)imidazol-1-yl]ethanol is OCCn1cnc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)imidazol-1-yl]ethanol?
The InChIKey is JYLNGVUWHSCKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)5-3-11(1-2-12)4-10-5/h3-4,12H,1-2H2.
What are the key properties of 2-[4-(trifluoromethyl)imidazol-1-yl]ethanol?
2-[4-(trifluoromethyl)imidazol-1-yl]ethanol has a molecular weight of 180.13 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)imidazol-1-yl]ethanol is sourced from PubChem (CID 150764124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).