2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone

C14H9ClFNO4 — CID 83052615

IUPAC2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone
SMILESO=C(COc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9ClFNO4/c15-11-2-1-3-12(16)14(11)21-8-13(18)9-4-6-10(7-5-9)17(19)20/h1-7H,8H2
InChIKeyQWASCYLSASPSAJ-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.65
Rot. Bonds5

About 2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone

2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone (PubChem CID 83052615) has the molecular formula C14H9ClFNO4 and a molecular weight of 309.68 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone
PubChem CID83052615
Molecular FormulaC14H9ClFNO4
Molecular Weight309.68 g/mol
Exact Mass309.02
IUPAC Name2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone
SMILESO=C(COc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9ClFNO4/c15-11-2-1-3-12(16)14(11)21-8-13(18)9-4-6-10(7-5-9)17(19)20/h1-7H,8H2
InChIKeyQWASCYLSASPSAJ-UHFFFAOYSA-N
XLogP3.65
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.65
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-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone
CID 83052607
2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 83052620
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 43612540
2-(3,5-dichlorophenoxy)-1-(4-nitrophenyl)ethanone
CID 60623975
2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone
CID 63937568
3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 83050986
2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone
CID 103764433
2-(2,6-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60626540
2-(2,6-difluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 78908099
2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid
CID 83050552
(E)-3-(2-chloro-6-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 8832942

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone (CID 83052615) is 2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone is O=C(COc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone?
The InChIKey is QWASCYLSASPSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO4/c15-11-2-1-3-12(16)14(11)21-8-13(18)9-4-6-10(7-5-9)17(19)20/h1-7H,8H2.
What are the key properties of 2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone?
2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone has a molecular weight of 309.68 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 83052615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).