2-(2,4-difluoro-3-nitrophenyl)acetaldehyde

C8H5F2NO3 — CID 129164971

IUPAC2-(2,4-difluoro-3-nitrophenyl)acetaldehyde
SMILESO=CCc1ccc(F)c([N+](=O)[O-])c1F
InChIInChI=1S/C8H5F2NO3/c9-6-2-1-5(3-4-12)7(10)8(6)11(13)14/h1-2,4H,3H2
InChIKeyXCHFPQVDNIVSSV-UHFFFAOYSA-N
MW201.13 g/mol
LogP1.61
Rot. Bonds3

About 2-(2,4-difluoro-3-nitrophenyl)acetaldehyde

2-(2,4-difluoro-3-nitrophenyl)acetaldehyde (PubChem CID 129164971) has the molecular formula C8H5F2NO3 and a molecular weight of 201.13 g/mol. Its IUPAC name is 2-(2,4-difluoro-3-nitrophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2,4-difluoro-3-nitrophenyl)acetaldehyde
PubChem CID129164971
Molecular FormulaC8H5F2NO3
Molecular Weight201.13 g/mol
Exact Mass201.02
IUPAC Name2-(2,4-difluoro-3-nitrophenyl)acetaldehyde
SMILESO=CCc1ccc(F)c([N+](=O)[O-])c1F
InChIInChI=1S/C8H5F2NO3/c9-6-2-1-5(3-4-12)7(10)8(6)11(13)14/h1-2,4H,3H2
InChIKeyXCHFPQVDNIVSSV-UHFFFAOYSA-N
XLogP1.61
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

1-(chloromethyl)-2,4-difluoro-3-nitrobenzene
CID 67924530
(2,4-difluoro-3-nitrophenyl)methanol
CID 118991228
2-(2-fluoro-5-nitrophenyl)acetaldehyde
CID 87087844
2-(3-hydroxy-2-nitrophenyl)acetaldehyde
CID 169410100
2-(2,3-difluorophenyl)acetaldehyde
CID 22667341
3-(chloromethyl)-6-fluoro-2-nitroaniline
CID 130848231
azane;2-(2,3-difluorophenyl)acetaldehyde
CID 87319362
(3-fluoro-4-methyl-2-nitrophenyl)methanamine
CID 130968438
2,4-difluoro-3-nitrobenzoic acid
CID 69257842
2-(3-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87309009
2-bromo-1,4-difluoro-3-nitrobenzene
CID 118807842
2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde
CID 59299255

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-3-nitrophenyl)acetaldehyde?
The IUPAC name of 2-(2,4-difluoro-3-nitrophenyl)acetaldehyde (CID 129164971) is 2-(2,4-difluoro-3-nitrophenyl)acetaldehyde.
What is the SMILES notation for 2-(2,4-difluoro-3-nitrophenyl)acetaldehyde?
The canonical SMILES for 2-(2,4-difluoro-3-nitrophenyl)acetaldehyde is O=CCc1ccc(F)c([N+](=O)[O-])c1F.
What is the InChIKey of 2-(2,4-difluoro-3-nitrophenyl)acetaldehyde?
The InChIKey is XCHFPQVDNIVSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO3/c9-6-2-1-5(3-4-12)7(10)8(6)11(13)14/h1-2,4H,3H2.
What are the key properties of 2-(2,4-difluoro-3-nitrophenyl)acetaldehyde?
2-(2,4-difluoro-3-nitrophenyl)acetaldehyde has a molecular weight of 201.13 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-3-nitrophenyl)acetaldehyde is sourced from PubChem (CID 129164971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).