2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol

C6H7F3N2O — CID 4301934

IUPAC2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol
SMILESCc1ncc(C(O)C(F)(F)F)[nH]1
InChIInChI=1S/C6H7F3N2O/c1-3-10-2-4(11-3)5(12)6(7,8)9/h2,5,12H,1H3,(H,10,11)
InChIKeyOCWKXTRYORMEFV-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.31
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol

2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol (PubChem CID 4301934) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol
PubChem CID4301934
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol
SMILESCc1ncc(C(O)C(F)(F)F)[nH]1
InChIInChI=1S/C6H7F3N2O/c1-3-10-2-4(11-3)5(12)6(7,8)9/h2,5,12H,1H3,(H,10,11)
InChIKeyOCWKXTRYORMEFV-UHFFFAOYSA-N
XLogP1.31
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol (CID 4301934) is 2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol is Cc1ncc(C(O)C(F)(F)F)[nH]1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol?
The InChIKey is OCWKXTRYORMEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3-10-2-4(11-3)5(12)6(7,8)9/h2,5,12H,1H3,(H,10,11).
What are the key properties of 2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol?
2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol has a molecular weight of 180.13 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 4301934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).