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

C6H7F3N2O — CID 40522533

IUPAC(1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol
SMILESCc1ncc([C@H](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)/t5-/m0/s1
InChIKeyOCWKXTRYORMEFV-YFKPBYRVSA-N
MW180.13 g/mol
LogP1.31
Rot. Bonds1

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

(1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol (PubChem CID 40522533) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol
PubChem CID40522533
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name(1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol
SMILESCc1ncc([C@H](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)/t5-/m0/s1
InChIKeyOCWKXTRYORMEFV-YFKPBYRVSA-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 (1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol (CID 40522533) is (1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol is Cc1ncc([C@H](O)C(F)(F)F)[nH]1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol?
The InChIKey is OCWKXTRYORMEFV-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol?
(1S)-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 (1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 40522533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).