2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

C10H7F4NO — CID 132519402

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cc(C2=NCCO2)ccc1C(F)(F)F
InChIInChI=1S/C10H7F4NO/c11-8-5-6(9-15-3-4-16-9)1-2-7(8)10(12,13)14/h1-2,5H,3-4H2
InChIKeyHUSGHAKQCRNCES-UHFFFAOYSA-N
MW233.16 g/mol
LogP2.62
Rot. Bonds1

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 132519402) has the molecular formula C10H7F4NO and a molecular weight of 233.16 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID132519402
Molecular FormulaC10H7F4NO
Molecular Weight233.16 g/mol
Exact Mass233.05
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cc(C2=NCCO2)ccc1C(F)(F)F
InChIInChI=1S/C10H7F4NO/c11-8-5-6(9-15-3-4-16-9)1-2-7(8)10(12,13)14/h1-2,5H,3-4H2
InChIKeyHUSGHAKQCRNCES-UHFFFAOYSA-N
XLogP2.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.16
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 132519402) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is Fc1cc(C2=NCCO2)ccc1C(F)(F)F.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is HUSGHAKQCRNCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO/c11-8-5-6(9-15-3-4-16-9)1-2-7(8)10(12,13)14/h1-2,5H,3-4H2.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 233.16 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132519402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).