2,6-dichloro-5-fluoro-1,3-benzoxazole

C7H2Cl2FNO — CID 138692253

IUPAC2,6-dichloro-5-fluoro-1,3-benzoxazole
SMILESFc1cc2nc(Cl)oc2cc1Cl
InChIInChI=1S/C7H2Cl2FNO/c8-3-1-6-5(2-4(3)10)11-7(9)12-6/h1-2H
InChIKeyUGDIGIBGDZTCOM-UHFFFAOYSA-N
MW206.00 g/mol
LogP3.27
Rot. Bonds

About 2,6-dichloro-5-fluoro-1,3-benzoxazole

2,6-dichloro-5-fluoro-1,3-benzoxazole (PubChem CID 138692253) has the molecular formula C7H2Cl2FNO and a molecular weight of 206.00 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-1,3-benzoxazole
PubChem CID138692253
Molecular FormulaC7H2Cl2FNO
Molecular Weight206.00 g/mol
Exact Mass204.95
IUPAC Name2,6-dichloro-5-fluoro-1,3-benzoxazole
SMILESFc1cc2nc(Cl)oc2cc1Cl
InChIInChI=1S/C7H2Cl2FNO/c8-3-1-6-5(2-4(3)10)11-7(9)12-6/h1-2H
InChIKeyUGDIGIBGDZTCOM-UHFFFAOYSA-N
XLogP3.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.00
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-1,3-benzoxazole?
The IUPAC name of 2,6-dichloro-5-fluoro-1,3-benzoxazole (CID 138692253) is 2,6-dichloro-5-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2,6-dichloro-5-fluoro-1,3-benzoxazole?
The canonical SMILES for 2,6-dichloro-5-fluoro-1,3-benzoxazole is Fc1cc2nc(Cl)oc2cc1Cl.
What is the InChIKey of 2,6-dichloro-5-fluoro-1,3-benzoxazole?
The InChIKey is UGDIGIBGDZTCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FNO/c8-3-1-6-5(2-4(3)10)11-7(9)12-6/h1-2H.
What are the key properties of 2,6-dichloro-5-fluoro-1,3-benzoxazole?
2,6-dichloro-5-fluoro-1,3-benzoxazole has a molecular weight of 206.00 g/mol, XLogP of 3.27, 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-fluoro-1,3-benzoxazole is sourced from PubChem (CID 138692253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).