(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate

C14H9ClFNO5 — CID 8881772

IUPAC(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate
SMILESO=C(COc1ccccc1F)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H9ClFNO5/c15-10-7-9(17(19)20)5-6-12(10)22-14(18)8-21-13-4-2-1-3-11(13)16/h1-7H,8H2
InChIKeyADNWLXGPSLKJOG-UHFFFAOYSA-N
MW325.68 g/mol
LogP3.37
Rot. Bonds5

About (2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate

(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate (PubChem CID 8881772) has the molecular formula C14H9ClFNO5 and a molecular weight of 325.68 g/mol. Its IUPAC name is (2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate
PubChem CID8881772
Molecular FormulaC14H9ClFNO5
Molecular Weight325.68 g/mol
Exact Mass325.02
IUPAC Name(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate
SMILESO=C(COc1ccccc1F)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H9ClFNO5/c15-10-7-9(17(19)20)5-6-12(10)22-14(18)8-21-13-4-2-1-3-11(13)16/h1-7H,8H2
InChIKeyADNWLXGPSLKJOG-UHFFFAOYSA-N
XLogP3.37
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.68
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-4-nitrophenyl) 2-(4-benzoylphenoxy)acetate
CID 8881767
(2-chloro-4-nitrophenyl) 2-(3-bromophenoxy)acetate
CID 8881641
(2-fluorophenyl) 2-(2-nitrophenoxy)acetate
CID 7900804
(2-fluorophenyl) 2-chloro-4-nitrobenzoate
CID 8764407
(3-nitrophenyl) 2-(2-chlorophenoxy)acetate
CID 4810670
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316822
2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone
CID 43232239
(2-chloro-4-nitrophenyl) 3-benzamidopropanoate
CID 16551848
2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 8587517
(2-cyanophenyl) 2-(2-fluorophenoxy)acetate
CID 7934993
methyl 2-[2-(2-chlorophenyl)-4-nitrophenoxy]acetate
CID 165352732

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate?
The IUPAC name of (2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate (CID 8881772) is (2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for (2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate?
The canonical SMILES for (2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate is O=C(COc1ccccc1F)Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate?
The InChIKey is ADNWLXGPSLKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO5/c15-10-7-9(17(19)20)5-6-12(10)22-14(18)8-21-13-4-2-1-3-11(13)16/h1-7H,8H2.
What are the key properties of (2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate?
(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate has a molecular weight of 325.68 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 8881772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).