5,6-difluoro-3H-1,3-benzoxazol-2-one

C7H3F2NO2 — CID 11535637

IUPAC5,6-difluoro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(F)c(F)cc2o1
InChIInChI=1S/C7H3F2NO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)
InChIKeyFHIXRLXLYMWKKM-UHFFFAOYSA-N
MW171.10 g/mol
LogP1.40
Rot. Bonds

About 5,6-difluoro-3H-1,3-benzoxazol-2-one

5,6-difluoro-3H-1,3-benzoxazol-2-one (PubChem CID 11535637) has the molecular formula C7H3F2NO2 and a molecular weight of 171.10 g/mol. Its IUPAC name is 5,6-difluoro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5,6-difluoro-3H-1,3-benzoxazol-2-one
PubChem CID11535637
Molecular FormulaC7H3F2NO2
Molecular Weight171.10 g/mol
Exact Mass171.01
IUPAC Name5,6-difluoro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(F)c(F)cc2o1
InChIInChI=1S/C7H3F2NO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)
InChIKeyFHIXRLXLYMWKKM-UHFFFAOYSA-N
XLogP1.40
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.10
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
CID 58343933
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
6-amino-5-(3,4-difluoroanilino)-3H-1,3-benzoxazol-2-one
CID 115425107
6-methylsulfanyl-3H-1,3-benzoxazol-2-one
CID 130992219
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
CID 171035252
5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 169443599
CID 67925044
CID 67925044
6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
CID 67834408
6-amino-5-(2,5-difluoroanilino)-3H-1,3-benzoxazol-2-one
CID 115425095
6-amino-5-(2,4-difluorophenoxy)-3H-1,3-benzoxazol-2-one
CID 115425857
3-[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-3-methylbutanoic acid
CID 167983903
6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one
CID 19911584

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5,6-difluoro-3H-1,3-benzoxazol-2-one (CID 11535637) is 5,6-difluoro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5,6-difluoro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5,6-difluoro-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(F)c(F)cc2o1.
What is the InChIKey of 5,6-difluoro-3H-1,3-benzoxazol-2-one?
The InChIKey is FHIXRLXLYMWKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2NO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11).
What are the key properties of 5,6-difluoro-3H-1,3-benzoxazol-2-one?
5,6-difluoro-3H-1,3-benzoxazol-2-one has a molecular weight of 171.10 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 11535637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).