1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one

C15H12FNO4 — CID 61038327

IUPAC1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one
SMILESO=C(COc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1
InChIInChI=1S/C15H12FNO4/c16-14-9-12(17(19)20)6-7-15(14)21-10-13(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyVQXXBYOUIRKSQN-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.92
Rot. Bonds6

About 1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one

1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one (PubChem CID 61038327) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one
PubChem CID61038327
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one
SMILESO=C(COc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1
InChIInChI=1S/C15H12FNO4/c16-14-9-12(17(19)20)6-7-15(14)21-10-13(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyVQXXBYOUIRKSQN-UHFFFAOYSA-N
XLogP2.92
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenoxy)-3-phenylpropan-2-one
CID 61031518
ethyl 2-(2-fluoro-4-nitrophenoxy)acetate
CID 43259205
1-(2-methoxy-5-nitrophenyl)-3-phenylpropan-2-one
CID 158664219
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
1-(4-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031388
1-(2-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031387
(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate
CID 8881772
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665
2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile
CID 62034545
6-[(2-fluoro-4-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903319
1-(2,5-dibromothiophen-3-yl)-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 60778912

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one?
The IUPAC name of 1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one (CID 61038327) is 1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one?
The canonical SMILES for 1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one is O=C(COc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one?
The InChIKey is VQXXBYOUIRKSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-14-9-12(17(19)20)6-7-15(14)21-10-13(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one?
1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one has a molecular weight of 289.26 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one is sourced from PubChem (CID 61038327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).