1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone

C11H10FNO4 — CID 63904794

IUPAC1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])c(F)c1)C1CC1
InChIInChI=1S/C11H10FNO4/c12-9-5-8(3-4-10(9)13(15)16)17-6-11(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyVORQWFPFCICGPR-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.09
Rot. Bonds5

About 1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone

1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone (PubChem CID 63904794) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone
PubChem CID63904794
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])c(F)c1)C1CC1
InChIInChI=1S/C11H10FNO4/c12-9-5-8(3-4-10(9)13(15)16)17-6-11(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyVORQWFPFCICGPR-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

2-(3-chloro-4-nitrophenoxy)-1-cyclopropylethanone
CID 63904601
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263
2-(3-chloro-4-nitrophenoxy)-1-cyclohexylethanone
CID 115595147
methyl 2-amino-2-cyclopropyl-3-(3-fluoro-4-nitrophenoxy)propanoate
CID 63920916
4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene
CID 176909165
(E)-4-(3-fluoro-4-nitrophenoxy)-3-methylbut-2-enoic acid
CID 55236912
1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone
CID 103201857
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene
CID 106440888
N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
CID 119384116
2-(3-methyl-4-nitrophenoxy)-1-(oxolan-3-yl)ethanone
CID 113442118
4-(2-cyclopentyl-2-oxoethoxy)-2-fluorobenzonitrile
CID 113241516

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone?
The IUPAC name of 1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone (CID 63904794) is 1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone is O=C(COc1ccc([N+](=O)[O-])c(F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone?
The InChIKey is VORQWFPFCICGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c12-9-5-8(3-4-10(9)13(15)16)17-6-11(14)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone?
1-cyclopropyl-2-(3-fluoro-4-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-(3-fluoro-4-nitrophenoxy)ethanone is sourced from PubChem (CID 63904794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).