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

C5H4F3NO2 — CID 138039699

IUPAC2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol
SMILESOC(c1ncco1)C(F)(F)F
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H
InChIKeyMCCXFTLSMFSPMP-UHFFFAOYSA-N
MW167.09 g/mol
LogP1.27
Rot. Bonds1

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

2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol (PubChem CID 138039699) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol
PubChem CID138039699
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol
SMILESOC(c1ncco1)C(F)(F)F
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H
InChIKeyMCCXFTLSMFSPMP-UHFFFAOYSA-N
XLogP1.27
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 51.27
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-(1,3-oxazol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol (CID 138039699) is 2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol is OC(c1ncco1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol?
The InChIKey is MCCXFTLSMFSPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H.
What are the key properties of 2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol?
2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol has a molecular weight of 167.09 g/mol, XLogP of 1.27, 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-(1,3-oxazol-2-yl)ethanol is sourced from PubChem (CID 138039699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).