2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone

C14H9F2NO4 — CID 43612540

IUPAC2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
SMILESO=C(COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9F2NO4/c15-12-6-5-11(7-13(12)16)21-8-14(18)9-1-3-10(4-2-9)17(19)20/h1-7H,8H2
InChIKeyCBQAYRNIDQQNCS-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.13
Rot. Bonds5

About 2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone

2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone (PubChem CID 43612540) has the molecular formula C14H9F2NO4 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
PubChem CID43612540
Molecular FormulaC14H9F2NO4
Molecular Weight293.23 g/mol
Exact Mass293.05
IUPAC Name2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
SMILESO=C(COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9F2NO4/c15-12-6-5-11(7-13(12)16)21-8-14(18)9-1-3-10(4-2-9)17(19)20/h1-7H,8H2
InChIKeyCBQAYRNIDQQNCS-UHFFFAOYSA-N
XLogP3.13
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.13
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

2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
2-(3,5-dichlorophenoxy)-1-(4-nitrophenyl)ethanone
CID 60623975
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43612503
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 7834788
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 19644971
2-(4-nitrophenoxy)-1-(4-propylphenyl)ethanone
CID 52888465
1-(3,4-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7519463

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone (CID 43612540) is 2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone is O=C(COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone?
The InChIKey is CBQAYRNIDQQNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO4/c15-12-6-5-11(7-13(12)16)21-8-14(18)9-1-3-10(4-2-9)17(19)20/h1-7H,8H2.
What are the key properties of 2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone?
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone has a molecular weight of 293.23 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 43612540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).