1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol

C6H6F3NO2 — CID 84657687

IUPAC1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3NO2/c1-3(11)4-2-12-5(10-4)6(7,8)9/h2-3,11H,1H3
InChIKeyVCUXDBLEHWEIOM-UHFFFAOYSA-N
MW181.11 g/mol
LogP1.75
Rot. Bonds1

About 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol

1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol (PubChem CID 84657687) has the molecular formula C6H6F3NO2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol
PubChem CID84657687
Molecular FormulaC6H6F3NO2
Molecular Weight181.11 g/mol
Exact Mass181.04
IUPAC Name1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3NO2/c1-3(11)4-2-12-5(10-4)6(7,8)9/h2-3,11H,1H3
InChIKeyVCUXDBLEHWEIOM-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methyl-1,3-oxazol-4-yl)methanol
CID 5324810
1-(1,3-Oxazol-4-yl)ethan-1-ol
CID 17813802
(2-Tert-butyl-1,3-oxazol-4-yl)methanol
CID 112756401
(1R)-1-(1,3-oxazol-4-yl)ethan-1-ol
CID 130351725
4-Ethyl-2-(trifluoromethyl)-1,3-oxazole
CID 57674883
(2-(1,1-Difluoroethyl)oxazol-4-yl)methanol
CID 67127967
2-Methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
CID 118298960
[2-(Fluoromethyl)-1,3-oxazol-4-yl]methanol
CID 122423770
2,2,2-Trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
CID 122677791
1,1,1-Trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol
CID 122677819
2,2,2-Trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethane-1,1-diol
CID 122677820
(1S)-1-(1,3-oxazol-4-yl)ethanol
CID 130351873

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol (CID 84657687) is 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol is CC(O)c1coc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is VCUXDBLEHWEIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2/c1-3(11)4-2-12-5(10-4)6(7,8)9/h2-3,11H,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol?
1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 181.11 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 84657687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).