7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole

C13H7F2NO — CID 82231372

IUPAC7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole
SMILESFc1ccc(-c2nc3cccc(F)c3o2)cc1
InChIInChI=1S/C13H7F2NO/c14-9-6-4-8(5-7-9)13-16-11-3-1-2-10(15)12(11)17-13/h1-7H
InChIKeyKBOJLSHIDOKANH-UHFFFAOYSA-N
MW231.20 g/mol
LogP3.77
Rot. Bonds1

About 7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole

7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole (PubChem CID 82231372) has the molecular formula C13H7F2NO and a molecular weight of 231.20 g/mol. Its IUPAC name is 7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole
PubChem CID82231372
Molecular FormulaC13H7F2NO
Molecular Weight231.20 g/mol
Exact Mass231.05
IUPAC Name7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole
SMILESFc1ccc(-c2nc3cccc(F)c3o2)cc1
InChIInChI=1S/C13H7F2NO/c14-9-6-4-8(5-7-9)13-16-11-3-1-2-10(15)12(11)17-13/h1-7H
InChIKeyKBOJLSHIDOKANH-UHFFFAOYSA-N
XLogP3.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole?
The IUPAC name of 7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole (CID 82231372) is 7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole?
The canonical SMILES for 7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole is Fc1ccc(-c2nc3cccc(F)c3o2)cc1.
What is the InChIKey of 7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole?
The InChIKey is KBOJLSHIDOKANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NO/c14-9-6-4-8(5-7-9)13-16-11-3-1-2-10(15)12(11)17-13/h1-7H.
What are the key properties of 7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole?
7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole has a molecular weight of 231.20 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 82231372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).