2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole

C8H2Cl2F3NO — CID 134297312

IUPAC2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1cc2nc(Cl)oc2cc1Cl
InChIInChI=1S/C8H2Cl2F3NO/c9-4-2-6-5(14-7(10)15-6)1-3(4)8(11,12)13/h1-2H
InChIKeyNMFIKSWECKHIPT-UHFFFAOYSA-N
MW256.01 g/mol
LogP4.15
Rot. Bonds

About 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole

2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 134297312) has the molecular formula C8H2Cl2F3NO and a molecular weight of 256.01 g/mol. Its IUPAC name is 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID134297312
Molecular FormulaC8H2Cl2F3NO
Molecular Weight256.01 g/mol
Exact Mass254.95
IUPAC Name2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1cc2nc(Cl)oc2cc1Cl
InChIInChI=1S/C8H2Cl2F3NO/c9-4-2-6-5(14-7(10)15-6)1-3(4)8(11,12)13/h1-2H
InChIKeyNMFIKSWECKHIPT-UHFFFAOYSA-N
XLogP4.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.01
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole (CID 134297312) is 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole is FC(F)(F)c1cc2nc(Cl)oc2cc1Cl.
What is the InChIKey of 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is NMFIKSWECKHIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F3NO/c9-4-2-6-5(14-7(10)15-6)1-3(4)8(11,12)13/h1-2H.
What are the key properties of 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole?
2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 256.01 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 134297312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).