6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one

C14H7F2NO3 — CID 43161914

IUPAC6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1F
InChIInChI=1S/C14H7F2NO3/c15-8-2-3-9(10(16)6-8)13(18)7-1-4-11-12(5-7)20-14(19)17-11/h1-6H,(H,17,19)
InChIKeyJOBHJYQFHOSYTB-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.63
Rot. Bonds2

About 6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one

6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one (PubChem CID 43161914) has the molecular formula C14H7F2NO3 and a molecular weight of 275.21 g/mol. Its IUPAC name is 6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one
PubChem CID43161914
Molecular FormulaC14H7F2NO3
Molecular Weight275.21 g/mol
Exact Mass275.04
IUPAC Name6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1F
InChIInChI=1S/C14H7F2NO3/c15-8-2-3-9(10(16)6-8)13(18)7-1-4-11-12(5-7)20-14(19)17-11/h1-6H,(H,17,19)
InChIKeyJOBHJYQFHOSYTB-UHFFFAOYSA-N
XLogP2.63
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one (CID 43161914) is 6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one is O=C(c1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1F.
What is the InChIKey of 6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is JOBHJYQFHOSYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO3/c15-8-2-3-9(10(16)6-8)13(18)7-1-4-11-12(5-7)20-14(19)17-11/h1-6H,(H,17,19).
What are the key properties of 6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one?
6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 275.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43161914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).