1-but-2-enoxy-3-fluoro-2-nitrobenzene

C10H10FNO3 — CID 76948199

IUPAC1-but-2-enoxy-3-fluoro-2-nitrobenzene
SMILESCC=CCOc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H10FNO3/c1-2-3-7-15-9-6-4-5-8(11)10(9)12(13)14/h2-6H,7H2,1H3
InChIKeyNDGKJQMHDOFAHG-UHFFFAOYSA-N
MW211.19 g/mol
LogP2.69
Rot. Bonds4

About 1-but-2-enoxy-3-fluoro-2-nitrobenzene

1-but-2-enoxy-3-fluoro-2-nitrobenzene (PubChem CID 76948199) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 1-but-2-enoxy-3-fluoro-2-nitrobenzene.

Molecular Properties

Compound Name1-but-2-enoxy-3-fluoro-2-nitrobenzene
PubChem CID76948199
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name1-but-2-enoxy-3-fluoro-2-nitrobenzene
SMILESCC=CCOc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H10FNO3/c1-2-3-7-15-9-6-4-5-8(11)10(9)12(13)14/h2-6H,7H2,1H3
InChIKeyNDGKJQMHDOFAHG-UHFFFAOYSA-N
XLogP2.69
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-(3-methyl-2-nitrophenoxy)but-2-en-1-amine
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N,N-diethyl-2-(3-fluoro-2-nitrophenoxy)ethanamine
CID 55101038
1-[(4-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
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1-fluoro-2-nitro-3-propan-2-yloxybenzene
CID 53255569
1-[(2-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 62664888
1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 82824297
1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine
CID 62665257
1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
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CID 68777440

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoxy-3-fluoro-2-nitrobenzene?
The IUPAC name of 1-but-2-enoxy-3-fluoro-2-nitrobenzene (CID 76948199) is 1-but-2-enoxy-3-fluoro-2-nitrobenzene.
What is the SMILES notation for 1-but-2-enoxy-3-fluoro-2-nitrobenzene?
The canonical SMILES for 1-but-2-enoxy-3-fluoro-2-nitrobenzene is CC=CCOc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 1-but-2-enoxy-3-fluoro-2-nitrobenzene?
The InChIKey is NDGKJQMHDOFAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-2-3-7-15-9-6-4-5-8(11)10(9)12(13)14/h2-6H,7H2,1H3.
What are the key properties of 1-but-2-enoxy-3-fluoro-2-nitrobenzene?
1-but-2-enoxy-3-fluoro-2-nitrobenzene has a molecular weight of 211.19 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxy-3-fluoro-2-nitrobenzene is sourced from PubChem (CID 76948199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).