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

C13H9F4NO2 — CID 68939513

IUPAC[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(/C=C/c2ccc(C(F)(F)F)cc2F)n1
InChIInChI=1S/C13H9F4NO2/c14-11-5-9(13(15,16)17)3-1-8(11)2-4-12-18-10(6-19)7-20-12/h1-5,7,19H,6H2/b4-2+
InChIKeyWMQBUCBRLXBHPV-DUXPYHPUSA-N
MW287.21 g/mol
LogP3.50
Rot. Bonds3

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

[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol (PubChem CID 68939513) has the molecular formula C13H9F4NO2 and a molecular weight of 287.21 g/mol. Its IUPAC name is [2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol
PubChem CID68939513
Molecular FormulaC13H9F4NO2
Molecular Weight287.21 g/mol
Exact Mass287.06
IUPAC Name[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(/C=C/c2ccc(C(F)(F)F)cc2F)n1
InChIInChI=1S/C13H9F4NO2/c14-11-5-9(13(15,16)17)3-1-8(11)2-4-12-18-10(6-19)7-20-12/h1-5,7,19H,6H2/b4-2+
InChIKeyWMQBUCBRLXBHPV-DUXPYHPUSA-N
XLogP3.50
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol (CID 68939513) is [2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol is OCc1coc(/C=C/c2ccc(C(F)(F)F)cc2F)n1.
What is the InChIKey of [2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is WMQBUCBRLXBHPV-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H9F4NO2/c14-11-5-9(13(15,16)17)3-1-8(11)2-4-12-18-10(6-19)7-20-12/h1-5,7,19H,6H2/b4-2+.
What are the key properties of [2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol?
[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 287.21 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 68939513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).