2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid

C9H5F2NO3 — CID 84782512

IUPAC2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid
SMILESO=C(O)Cc1c(F)cc2oncc2c1F
InChIInChI=1S/C9H5F2NO3/c10-6-2-7-5(3-12-15-7)9(11)4(6)1-8(13)14/h2-3H,1H2,(H,13,14)
InChIKeyVKLQFBWXXGTZOT-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.73
Rot. Bonds2

About 2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid

2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid (PubChem CID 84782512) has the molecular formula C9H5F2NO3 and a molecular weight of 213.14 g/mol. Its IUPAC name is 2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid
PubChem CID84782512
Molecular FormulaC9H5F2NO3
Molecular Weight213.14 g/mol
Exact Mass213.02
IUPAC Name2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid
SMILESO=C(O)Cc1c(F)cc2oncc2c1F
InChIInChI=1S/C9H5F2NO3/c10-6-2-7-5(3-12-15-7)9(11)4(6)1-8(13)14/h2-3H,1H2,(H,13,14)
InChIKeyVKLQFBWXXGTZOT-UHFFFAOYSA-N
XLogP1.73
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid?
The IUPAC name of 2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid (CID 84782512) is 2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid?
The canonical SMILES for 2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid is O=C(O)Cc1c(F)cc2oncc2c1F.
What is the InChIKey of 2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid?
The InChIKey is VKLQFBWXXGTZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO3/c10-6-2-7-5(3-12-15-7)9(11)4(6)1-8(13)14/h2-3H,1H2,(H,13,14).
What are the key properties of 2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid?
2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid has a molecular weight of 213.14 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-1,2-benzoxazol-5-yl)acetic acid is sourced from PubChem (CID 84782512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).