4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

C11H7BrF3NO — CID 67407533

IUPAC4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1cccc(-c2nc(CBr)co2)c1
InChIInChI=1S/C11H7BrF3NO/c12-5-9-6-17-10(16-9)7-2-1-3-8(4-7)11(13,14)15/h1-4,6H,5H2
InChIKeyCMRFFKAWFSWYQA-UHFFFAOYSA-N
MW306.08 g/mol
LogP4.26
Rot. Bonds2

About 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 67407533) has the molecular formula C11H7BrF3NO and a molecular weight of 306.08 g/mol. Its IUPAC name is 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID67407533
Molecular FormulaC11H7BrF3NO
Molecular Weight306.08 g/mol
Exact Mass304.97
IUPAC Name4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1cccc(-c2nc(CBr)co2)c1
InChIInChI=1S/C11H7BrF3NO/c12-5-9-6-17-10(16-9)7-2-1-3-8(4-7)11(13,14)15/h1-4,6H,5H2
InChIKeyCMRFFKAWFSWYQA-UHFFFAOYSA-N
XLogP4.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (CID 67407533) is 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1cccc(-c2nc(CBr)co2)c1.
What is the InChIKey of 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is CMRFFKAWFSWYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO/c12-5-9-6-17-10(16-9)7-2-1-3-8(4-7)11(13,14)15/h1-4,6H,5H2.
What are the key properties of 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 306.08 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 67407533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).