2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol

C6H6F3NO2 — CID 122677791

IUPAC2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
SMILESCc1nc(C(O)C(F)(F)F)co1
InChIInChI=1S/C6H6F3NO2/c1-3-10-4(2-12-3)5(11)6(7,8)9/h2,5,11H,1H3
InChIKeyRZCLGPOHWCWJTI-UHFFFAOYSA-N
MW181.11 g/mol
LogP1.58
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol

2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol (PubChem CID 122677791) has the molecular formula C6H6F3NO2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
PubChem CID122677791
Molecular FormulaC6H6F3NO2
Molecular Weight181.11 g/mol
Exact Mass181.04
IUPAC Name2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
SMILESCc1nc(C(O)C(F)(F)F)co1
InChIInChI=1S/C6H6F3NO2/c1-3-10-4(2-12-3)5(11)6(7,8)9/h2,5,11H,1H3
InChIKeyRZCLGPOHWCWJTI-UHFFFAOYSA-N
XLogP1.58
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol (CID 122677791) is 2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol is Cc1nc(C(O)C(F)(F)F)co1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol?
The InChIKey is RZCLGPOHWCWJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2/c1-3-10-4(2-12-3)5(11)6(7,8)9/h2,5,11H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol?
2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol has a molecular weight of 181.11 g/mol, XLogP of 1.58, 1 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-(2-methyl-1,3-oxazol-4-yl)ethanol is sourced from PubChem (CID 122677791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).