2-(2,4-difluorophenoxy)-1-phenylpropan-1-one

C15H12F2O2 — CID 43218886

IUPAC2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
SMILESCC(Oc1ccc(F)cc1F)C(=O)c1ccccc1
InChIInChI=1S/C15H12F2O2/c1-10(15(18)11-5-3-2-4-6-11)19-14-8-7-12(16)9-13(14)17/h2-10H,1H3
InChIKeyIHCNMYOPJKLTFS-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.62
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-1-phenylpropan-1-one

2-(2,4-difluorophenoxy)-1-phenylpropan-1-one (PubChem CID 43218886) has the molecular formula C15H12F2O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
PubChem CID43218886
Molecular FormulaC15H12F2O2
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
SMILESCC(Oc1ccc(F)cc1F)C(=O)c1ccccc1
InChIInChI=1S/C15H12F2O2/c1-10(15(18)11-5-3-2-4-6-11)19-14-8-7-12(16)9-13(14)17/h2-10H,1H3
InChIKeyIHCNMYOPJKLTFS-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-phenylpropan-1-one?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-phenylpropan-1-one (CID 43218886) is 2-(2,4-difluorophenoxy)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-phenylpropan-1-one?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-phenylpropan-1-one is CC(Oc1ccc(F)cc1F)C(=O)c1ccccc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-phenylpropan-1-one?
The InChIKey is IHCNMYOPJKLTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-10(15(18)11-5-3-2-4-6-11)19-14-8-7-12(16)9-13(14)17/h2-10H,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-1-phenylpropan-1-one?
2-(2,4-difluorophenoxy)-1-phenylpropan-1-one has a molecular weight of 262.26 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-phenylpropan-1-one is sourced from PubChem (CID 43218886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).