1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone

C11H10FNO4 — CID 63903263

IUPAC1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H10FNO4/c12-8-3-4-9(13(15)16)11(5-8)17-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyBPTDBERVMMYQKK-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.09
Rot. Bonds5

About 1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone

1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone (PubChem CID 63903263) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
PubChem CID63903263
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H10FNO4/c12-8-3-4-9(13(15)16)11(5-8)17-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyBPTDBERVMMYQKK-UHFFFAOYSA-N
XLogP2.09
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.09
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

1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone
CID 63904794
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 29469200
1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide
CID 8873562
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850
1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
CID 115733445
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 78911810
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 2564498
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 2638344
1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol
CID 60879350

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone?
The IUPAC name of 1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone (CID 63903263) is 1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone is O=C(COc1cc(F)ccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone?
The InChIKey is BPTDBERVMMYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c12-8-3-4-9(13(15)16)11(5-8)17-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone?
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone has a molecular weight of 239.20 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone is sourced from PubChem (CID 63903263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).