[3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol

C11H7F4NO2 — CID 69398584

IUPAC[3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(-c2ccc(F)cc2C(F)(F)F)no1
InChIInChI=1S/C11H7F4NO2/c12-6-1-2-8(9(3-6)11(13,14)15)10-4-7(5-17)18-16-10/h1-4,17H,5H2
InChIKeyUVPJHHFREIRYET-UHFFFAOYSA-N
MW261.17 g/mol
LogP2.99
Rot. Bonds2

About [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol

[3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol (PubChem CID 69398584) has the molecular formula C11H7F4NO2 and a molecular weight of 261.17 g/mol. Its IUPAC name is [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol
PubChem CID69398584
Molecular FormulaC11H7F4NO2
Molecular Weight261.17 g/mol
Exact Mass261.04
IUPAC Name[3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(-c2ccc(F)cc2C(F)(F)F)no1
InChIInChI=1S/C11H7F4NO2/c12-6-1-2-8(9(3-6)11(13,14)15)10-4-7(5-17)18-16-10/h1-4,17H,5H2
InChIKeyUVPJHHFREIRYET-UHFFFAOYSA-N
XLogP2.99
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol (CID 69398584) is [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol is OCc1cc(-c2ccc(F)cc2C(F)(F)F)no1.
What is the InChIKey of [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol?
The InChIKey is UVPJHHFREIRYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4NO2/c12-6-1-2-8(9(3-6)11(13,14)15)10-4-7(5-17)18-16-10/h1-4,17H,5H2.
What are the key properties of [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol?
[3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol has a molecular weight of 261.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 69398584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).