2,5-bis(difluoromethoxy)-1,3-benzoxazole

C9H5F4NO3 — CID 118995591

IUPAC2,5-bis(difluoromethoxy)-1,3-benzoxazole
SMILESFC(F)Oc1ccc2oc(OC(F)F)nc2c1
InChIInChI=1S/C9H5F4NO3/c10-7(11)15-4-1-2-6-5(3-4)14-9(16-6)17-8(12)13/h1-3,7-8H
InChIKeyFCBRNLQWCZVMPS-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.03
Rot. Bonds4

About 2,5-bis(difluoromethoxy)-1,3-benzoxazole

2,5-bis(difluoromethoxy)-1,3-benzoxazole (PubChem CID 118995591) has the molecular formula C9H5F4NO3 and a molecular weight of 251.13 g/mol. Its IUPAC name is 2,5-bis(difluoromethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2,5-bis(difluoromethoxy)-1,3-benzoxazole
PubChem CID118995591
Molecular FormulaC9H5F4NO3
Molecular Weight251.13 g/mol
Exact Mass251.02
IUPAC Name2,5-bis(difluoromethoxy)-1,3-benzoxazole
SMILESFC(F)Oc1ccc2oc(OC(F)F)nc2c1
InChIInChI=1S/C9H5F4NO3/c10-7(11)15-4-1-2-6-5(3-4)14-9(16-6)17-8(12)13/h1-3,7-8H
InChIKeyFCBRNLQWCZVMPS-UHFFFAOYSA-N
XLogP3.03
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(difluoromethoxy)-1,3-benzoxazole?
The IUPAC name of 2,5-bis(difluoromethoxy)-1,3-benzoxazole (CID 118995591) is 2,5-bis(difluoromethoxy)-1,3-benzoxazole.
What is the SMILES notation for 2,5-bis(difluoromethoxy)-1,3-benzoxazole?
The canonical SMILES for 2,5-bis(difluoromethoxy)-1,3-benzoxazole is FC(F)Oc1ccc2oc(OC(F)F)nc2c1.
What is the InChIKey of 2,5-bis(difluoromethoxy)-1,3-benzoxazole?
The InChIKey is FCBRNLQWCZVMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4NO3/c10-7(11)15-4-1-2-6-5(3-4)14-9(16-6)17-8(12)13/h1-3,7-8H.
What are the key properties of 2,5-bis(difluoromethoxy)-1,3-benzoxazole?
2,5-bis(difluoromethoxy)-1,3-benzoxazole has a molecular weight of 251.13 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(difluoromethoxy)-1,3-benzoxazole is sourced from PubChem (CID 118995591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).