3-(2-fluoro-4-nitrophenoxy)propanal

C9H8FNO4 — CID 63039286

IUPAC3-(2-fluoro-4-nitrophenoxy)propanal
SMILESO=CCCOc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C9H8FNO4/c10-8-6-7(11(13)14)2-3-9(8)15-5-1-4-12/h2-4,6H,1,5H2
InChIKeyAIWFFPJAQSKLDT-UHFFFAOYSA-N
MW213.16 g/mol
LogP1.70
Rot. Bonds5

About 3-(2-fluoro-4-nitrophenoxy)propanal

3-(2-fluoro-4-nitrophenoxy)propanal (PubChem CID 63039286) has the molecular formula C9H8FNO4 and a molecular weight of 213.16 g/mol. Its IUPAC name is 3-(2-fluoro-4-nitrophenoxy)propanal.

Molecular Properties

Compound Name3-(2-fluoro-4-nitrophenoxy)propanal
PubChem CID63039286
Molecular FormulaC9H8FNO4
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name3-(2-fluoro-4-nitrophenoxy)propanal
SMILESO=CCCOc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C9H8FNO4/c10-8-6-7(11(13)14)2-3-9(8)15-5-1-4-12/h2-4,6H,1,5H2
InChIKeyAIWFFPJAQSKLDT-UHFFFAOYSA-N
XLogP1.70
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

3-(2-methoxy-5-nitrophenoxy)propanal
CID 63038722
1-butoxy-2-fluoro-4-nitrobenzene
CID 69029927
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
3-(2,5-difluoro-4-nitrophenoxy)propanal
CID 63597616
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665
4-(2-fluoro-4-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 65256974
3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine
CID 107391619
1-(2,2-diethoxyethoxy)-2-fluoro-4-nitrobenzene
CID 63630430
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8534779
2-(2-bromoethoxy)-5-nitrobenzaldehyde
CID 14050433
1-[(2-fluoro-4-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213546

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-nitrophenoxy)propanal?
The IUPAC name of 3-(2-fluoro-4-nitrophenoxy)propanal (CID 63039286) is 3-(2-fluoro-4-nitrophenoxy)propanal.
What is the SMILES notation for 3-(2-fluoro-4-nitrophenoxy)propanal?
The canonical SMILES for 3-(2-fluoro-4-nitrophenoxy)propanal is O=CCCOc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 3-(2-fluoro-4-nitrophenoxy)propanal?
The InChIKey is AIWFFPJAQSKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO4/c10-8-6-7(11(13)14)2-3-9(8)15-5-1-4-12/h2-4,6H,1,5H2.
What are the key properties of 3-(2-fluoro-4-nitrophenoxy)propanal?
3-(2-fluoro-4-nitrophenoxy)propanal has a molecular weight of 213.16 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-nitrophenoxy)propanal is sourced from PubChem (CID 63039286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).