2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone

C14H10FNO4 — CID 43232239

IUPAC2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone
SMILESO=C(COc1ccccc1F)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10FNO4/c15-12-6-1-2-7-14(12)20-9-13(17)10-4-3-5-11(8-10)16(18)19/h1-8H,9H2
InChIKeyNWTXFKFAYVPWDN-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.00
Rot. Bonds5

About 2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone

2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone (PubChem CID 43232239) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone
PubChem CID43232239
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone
SMILESO=C(COc1ccccc1F)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10FNO4/c15-12-6-1-2-7-14(12)20-9-13(17)10-4-3-5-11(8-10)16(18)19/h1-8H,9H2
InChIKeyNWTXFKFAYVPWDN-UHFFFAOYSA-N
XLogP3.00
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.00
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

N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
2-[2-(3-nitrophenyl)-2-oxoethoxy]benzoic acid
CID 23765422
2-(2,3-dimethylphenoxy)-1-(3-nitrophenyl)ethanone
CID 43612405
2-(2-fluorophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 7934903
2-(2-chloro-5-methylphenoxy)-1-(3-nitrophenyl)ethanone
CID 60699162
1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone
CID 60662380
[2-(3-nitrophenyl)-2-oxoethyl] 3,5-dinitrobenzoate
CID 21177389
2-(3,4-dichlorophenoxy)-1-(3-nitrophenyl)ethanone
CID 18184732
(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate
CID 8881772
N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7434030
N-[5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
CID 3148817
2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone
CID 60606157

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone (CID 43232239) is 2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone is O=C(COc1ccccc1F)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone?
The InChIKey is NWTXFKFAYVPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-12-6-1-2-7-14(12)20-9-13(17)10-4-3-5-11(8-10)16(18)19/h1-8H,9H2.
What are the key properties of 2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone?
2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone has a molecular weight of 275.24 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone is sourced from PubChem (CID 43232239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).