6-(difluoromethyl)-1,2-benzoxazole

C8H5F2NO — CID 84653295

IUPAC6-(difluoromethyl)-1,2-benzoxazole
SMILESFC(F)c1ccc2cnoc2c1
InChIInChI=1S/C8H5F2NO/c9-8(10)5-1-2-6-4-11-12-7(6)3-5/h1-4,8H
InChIKeyAQKXVOYWBPMHLX-UHFFFAOYSA-N
MW169.13 g/mol
LogP2.77
Rot. Bonds1

About 6-(difluoromethyl)-1,2-benzoxazole

6-(difluoromethyl)-1,2-benzoxazole (PubChem CID 84653295) has the molecular formula C8H5F2NO and a molecular weight of 169.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name6-(difluoromethyl)-1,2-benzoxazole
PubChem CID84653295
Molecular FormulaC8H5F2NO
Molecular Weight169.13 g/mol
Exact Mass169.03
IUPAC Name6-(difluoromethyl)-1,2-benzoxazole
SMILESFC(F)c1ccc2cnoc2c1
InChIInChI=1S/C8H5F2NO/c9-8(10)5-1-2-6-4-11-12-7(6)3-5/h1-4,8H
InChIKeyAQKXVOYWBPMHLX-UHFFFAOYSA-N
XLogP2.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1,2-benzoxazole?
The IUPAC name of 6-(difluoromethyl)-1,2-benzoxazole (CID 84653295) is 6-(difluoromethyl)-1,2-benzoxazole.
What is the SMILES notation for 6-(difluoromethyl)-1,2-benzoxazole?
The canonical SMILES for 6-(difluoromethyl)-1,2-benzoxazole is FC(F)c1ccc2cnoc2c1.
What is the InChIKey of 6-(difluoromethyl)-1,2-benzoxazole?
The InChIKey is AQKXVOYWBPMHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO/c9-8(10)5-1-2-6-4-11-12-7(6)3-5/h1-4,8H.
What are the key properties of 6-(difluoromethyl)-1,2-benzoxazole?
6-(difluoromethyl)-1,2-benzoxazole has a molecular weight of 169.13 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1,2-benzoxazole is sourced from PubChem (CID 84653295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).