2-(2-fluoro-5-nitrophenyl)acetaldehyde

C8H6FNO3 — CID 87087844

IUPAC2-(2-fluoro-5-nitrophenyl)acetaldehyde
SMILESO=CCc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C8H6FNO3/c9-8-2-1-7(10(12)13)5-6(8)3-4-11/h1-2,4-5H,3H2
InChIKeyMGTNHSOETVYQHD-UHFFFAOYSA-N
MW183.14 g/mol
LogP1.48
Rot. Bonds3

About 2-(2-fluoro-5-nitrophenyl)acetaldehyde

2-(2-fluoro-5-nitrophenyl)acetaldehyde (PubChem CID 87087844) has the molecular formula C8H6FNO3 and a molecular weight of 183.14 g/mol. Its IUPAC name is 2-(2-fluoro-5-nitrophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-fluoro-5-nitrophenyl)acetaldehyde
PubChem CID87087844
Molecular FormulaC8H6FNO3
Molecular Weight183.14 g/mol
Exact Mass183.03
IUPAC Name2-(2-fluoro-5-nitrophenyl)acetaldehyde
SMILESO=CCc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C8H6FNO3/c9-8-2-1-7(10(12)13)5-6(8)3-4-11/h1-2,4-5H,3H2
InChIKeyMGTNHSOETVYQHD-UHFFFAOYSA-N
XLogP1.48
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 51.48
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

CID 90126367
CID 90126367
1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine
CID 82669041
2-(2,4-difluoro-3-nitrophenyl)acetaldehyde
CID 129164971
2-[2-[ethyl(methyl)amino]-5-nitrophenyl]acetaldehyde
CID 143412707
(2-fluoro-5-nitrophenyl)methyl-methylcarbamic acid
CID 122652855
1-[(2-fluoro-5-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384410
1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide
CID 129030640
2-chloro-3-(2-fluoro-5-nitrophenyl)propanamide
CID 104513116
3-(2-fluoro-4-nitrophenoxy)propanal
CID 63039286
2-(6-nitro-1,3-dioxoisoindol-4-yl)acetaldehyde
CID 138115501
(2-fluoro-5-nitrophenyl)methyl 4-methylbenzenesulfonate
CID 86673337
3-[(2-fluoro-5-nitrophenyl)methylsulfanyl]propanamide
CID 138012759

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-nitrophenyl)acetaldehyde?
The IUPAC name of 2-(2-fluoro-5-nitrophenyl)acetaldehyde (CID 87087844) is 2-(2-fluoro-5-nitrophenyl)acetaldehyde.
What is the SMILES notation for 2-(2-fluoro-5-nitrophenyl)acetaldehyde?
The canonical SMILES for 2-(2-fluoro-5-nitrophenyl)acetaldehyde is O=CCc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(2-fluoro-5-nitrophenyl)acetaldehyde?
The InChIKey is MGTNHSOETVYQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO3/c9-8-2-1-7(10(12)13)5-6(8)3-4-11/h1-2,4-5H,3H2.
What are the key properties of 2-(2-fluoro-5-nitrophenyl)acetaldehyde?
2-(2-fluoro-5-nitrophenyl)acetaldehyde has a molecular weight of 183.14 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-nitrophenyl)acetaldehyde is sourced from PubChem (CID 87087844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).