6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one

C7H3ClFNO2 — CID 58343933

IUPAC6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(F)c(Cl)cc2o1
InChIInChI=1S/C7H3ClFNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)
InChIKeyTVSDTITWPFHJAD-UHFFFAOYSA-N
MW187.56 g/mol
LogP1.91
Rot. Bonds

About 6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one

6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one (PubChem CID 58343933) has the molecular formula C7H3ClFNO2 and a molecular weight of 187.56 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
PubChem CID58343933
Molecular FormulaC7H3ClFNO2
Molecular Weight187.56 g/mol
Exact Mass186.98
IUPAC Name6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(F)c(Cl)cc2o1
InChIInChI=1S/C7H3ClFNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)
InChIKeyTVSDTITWPFHJAD-UHFFFAOYSA-N
XLogP1.91
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.56
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one (CID 58343933) is 6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(F)c(Cl)cc2o1.
What is the InChIKey of 6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one?
The InChIKey is TVSDTITWPFHJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11).
What are the key properties of 6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one?
6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one has a molecular weight of 187.56 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 58343933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).