6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one

C10H10FNO2 — CID 89210533

IUPAC6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2cc(F)ccc21
InChIInChI=1S/C10H10FNO2/c1-6(2)12-8-4-3-7(11)5-9(8)14-10(12)13/h3-6H,1-2H3
InChIKeyFQUJKSRIAOKAIU-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.31
Rot. Bonds1

About 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one

6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 89210533) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID89210533
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2cc(F)ccc21
InChIInChI=1S/C10H10FNO2/c1-6(2)12-8-4-3-7(11)5-9(8)14-10(12)13/h3-6H,1-2H3
InChIKeyFQUJKSRIAOKAIU-UHFFFAOYSA-N
XLogP2.31
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one (CID 89210533) is 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one is CC(C)n1c(=O)oc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is FQUJKSRIAOKAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6(2)12-8-4-3-7(11)5-9(8)14-10(12)13/h3-6H,1-2H3.
What are the key properties of 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one?
6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 195.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 89210533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).