5,7-difluoro-1,3-benzoxazole

C7H3F2NO — CID 45090611

IUPAC5,7-difluoro-1,3-benzoxazole
SMILESFc1cc(F)c2ocnc2c1
InChIInChI=1S/C7H3F2NO/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H
InChIKeyLDMNHSBQANCXBC-UHFFFAOYSA-N
MW155.10 g/mol
LogP2.11
Rot. Bonds

About 5,7-difluoro-1,3-benzoxazole

5,7-difluoro-1,3-benzoxazole (PubChem CID 45090611) has the molecular formula C7H3F2NO and a molecular weight of 155.10 g/mol. Its IUPAC name is 5,7-difluoro-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-difluoro-1,3-benzoxazole
PubChem CID45090611
Molecular FormulaC7H3F2NO
Molecular Weight155.10 g/mol
Exact Mass155.02
IUPAC Name5,7-difluoro-1,3-benzoxazole
SMILESFc1cc(F)c2ocnc2c1
InChIInChI=1S/C7H3F2NO/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H
InChIKeyLDMNHSBQANCXBC-UHFFFAOYSA-N
XLogP2.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.10
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1,3-benzoxazole?
The IUPAC name of 5,7-difluoro-1,3-benzoxazole (CID 45090611) is 5,7-difluoro-1,3-benzoxazole.
What is the SMILES notation for 5,7-difluoro-1,3-benzoxazole?
The canonical SMILES for 5,7-difluoro-1,3-benzoxazole is Fc1cc(F)c2ocnc2c1.
What is the InChIKey of 5,7-difluoro-1,3-benzoxazole?
The InChIKey is LDMNHSBQANCXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2NO/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H.
What are the key properties of 5,7-difluoro-1,3-benzoxazole?
5,7-difluoro-1,3-benzoxazole has a molecular weight of 155.10 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1,3-benzoxazole is sourced from PubChem (CID 45090611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).