(2-fluorophenyl) 2-(2-nitrophenoxy)acetate

C14H10FNO5 — CID 7900804

IUPAC(2-fluorophenyl) 2-(2-nitrophenoxy)acetate
SMILESO=C(COc1ccccc1[N+](=O)[O-])Oc1ccccc1F
InChIInChI=1S/C14H10FNO5/c15-10-5-1-3-7-12(10)21-14(17)9-20-13-8-4-2-6-11(13)16(18)19/h1-8H,9H2
InChIKeyKXSPIIXLNILTEA-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.72
Rot. Bonds5

About (2-fluorophenyl) 2-(2-nitrophenoxy)acetate

(2-fluorophenyl) 2-(2-nitrophenoxy)acetate (PubChem CID 7900804) has the molecular formula C14H10FNO5 and a molecular weight of 291.23 g/mol. Its IUPAC name is (2-fluorophenyl) 2-(2-nitrophenoxy)acetate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-(2-nitrophenoxy)acetate
PubChem CID7900804
Molecular FormulaC14H10FNO5
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name(2-fluorophenyl) 2-(2-nitrophenoxy)acetate
SMILESO=C(COc1ccccc1[N+](=O)[O-])Oc1ccccc1F
InChIInChI=1S/C14H10FNO5/c15-10-5-1-3-7-12(10)21-14(17)9-20-13-8-4-2-6-11(13)16(18)19/h1-8H,9H2
InChIKeyKXSPIIXLNILTEA-UHFFFAOYSA-N
XLogP2.72
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.72
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

(4-iodophenyl) 2-(2-nitrophenoxy)acetate
CID 7924345
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate
CID 9140232
(2-nitrophenyl) 2-(4-nitrophenoxy)acetate
CID 3340763
(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate
CID 8881772
triphenylstannyl 2-(2-nitrophenoxy)acetate
CID 16706573
(2-cyanophenyl) 2-(2-fluorophenoxy)acetate
CID 7934993
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626465
(4-chloro-3-ethylphenyl) 2-(2-nitrophenoxy)acetate
CID 8920644
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
2-(2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone
CID 7503641
[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-nitrophenoxy)acetate
CID 7889861

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-(2-nitrophenoxy)acetate?
The IUPAC name of (2-fluorophenyl) 2-(2-nitrophenoxy)acetate (CID 7900804) is (2-fluorophenyl) 2-(2-nitrophenoxy)acetate.
What is the SMILES notation for (2-fluorophenyl) 2-(2-nitrophenoxy)acetate?
The canonical SMILES for (2-fluorophenyl) 2-(2-nitrophenoxy)acetate is O=C(COc1ccccc1[N+](=O)[O-])Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-(2-nitrophenoxy)acetate?
The InChIKey is KXSPIIXLNILTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO5/c15-10-5-1-3-7-12(10)21-14(17)9-20-13-8-4-2-6-11(13)16(18)19/h1-8H,9H2.
What are the key properties of (2-fluorophenyl) 2-(2-nitrophenoxy)acetate?
(2-fluorophenyl) 2-(2-nitrophenoxy)acetate has a molecular weight of 291.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-(2-nitrophenoxy)acetate is sourced from PubChem (CID 7900804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).