4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole

C11H13BrF3NO — CID 104622969

IUPAC4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole
SMILESFC(F)(F)C1CCCCC1c1ocnc1CBr
InChIInChI=1S/C11H13BrF3NO/c12-5-9-10(17-6-16-9)7-3-1-2-4-8(7)11(13,14)15/h6-8H,1-5H2
InChIKeyOSHRNOFQEDYXQX-UHFFFAOYSA-N
MW312.13 g/mol
LogP4.41
Rot. Bonds2

About 4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole

4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole (PubChem CID 104622969) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole
PubChem CID104622969
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole
SMILESFC(F)(F)C1CCCCC1c1ocnc1CBr
InChIInChI=1S/C11H13BrF3NO/c12-5-9-10(17-6-16-9)7-3-1-2-4-8(7)11(13,14)15/h6-8H,1-5H2
InChIKeyOSHRNOFQEDYXQX-UHFFFAOYSA-N
XLogP4.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 54.41
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)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole (CID 104622969) is 4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole is FC(F)(F)C1CCCCC1c1ocnc1CBr.
What is the InChIKey of 4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole?
The InChIKey is OSHRNOFQEDYXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c12-5-9-10(17-6-16-9)7-3-1-2-4-8(7)11(13,14)15/h6-8H,1-5H2.
What are the key properties of 4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole?
4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole has a molecular weight of 312.13 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole is sourced from PubChem (CID 104622969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).