2-(5-chlorofuran-2-yl)acetaldehyde

C6H5ClO2 — CID 83826300

IUPAC2-(5-chlorofuran-2-yl)acetaldehyde
SMILESO=CCc1ccc(Cl)o1
InChIInChI=1S/C6H5ClO2/c7-6-2-1-5(9-6)3-4-8/h1-2,4H,3H2
InChIKeyRQWZSQABDFPEIS-UHFFFAOYSA-N
MW144.56 g/mol
LogP1.67
Rot. Bonds2

About 2-(5-chlorofuran-2-yl)acetaldehyde

2-(5-chlorofuran-2-yl)acetaldehyde (PubChem CID 83826300) has the molecular formula C6H5ClO2 and a molecular weight of 144.56 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)acetaldehyde
PubChem CID83826300
Molecular FormulaC6H5ClO2
Molecular Weight144.56 g/mol
Exact Mass144.00
IUPAC Name2-(5-chlorofuran-2-yl)acetaldehyde
SMILESO=CCc1ccc(Cl)o1
InChIInChI=1S/C6H5ClO2/c7-6-2-1-5(9-6)3-4-8/h1-2,4H,3H2
InChIKeyRQWZSQABDFPEIS-UHFFFAOYSA-N
XLogP1.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chlorofuran-2-yl)ethyl formate
CID 175256705
2-[5-(2-hydroxyethyl)furan-2-yl]acetaldehyde
CID 153490794
2-(5-phenylfuran-2-yl)acetaldehyde
CID 101495909
1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine
CID 83682936
1-(5-chlorofuran-2-yl)propan-2-one
CID 82652120
2-[(5-chlorofuran-2-yl)methylamino]acetic acid
CID 60769646
2-(5-chlorofuran-2-yl)acetonitrile
CID 84762684
N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine
CID 106684730
2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde
CID 83885197
1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 60663982
N-[(5-chlorofuran-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 60659002
1-(1,3-benzodioxol-5-yl)-N-[(5-chlorofuran-2-yl)methyl]methanamine
CID 60662705

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)acetaldehyde?
The IUPAC name of 2-(5-chlorofuran-2-yl)acetaldehyde (CID 83826300) is 2-(5-chlorofuran-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-chlorofuran-2-yl)acetaldehyde is O=CCc1ccc(Cl)o1.
What is the InChIKey of 2-(5-chlorofuran-2-yl)acetaldehyde?
The InChIKey is RQWZSQABDFPEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2/c7-6-2-1-5(9-6)3-4-8/h1-2,4H,3H2.
What are the key properties of 2-(5-chlorofuran-2-yl)acetaldehyde?
2-(5-chlorofuran-2-yl)acetaldehyde has a molecular weight of 144.56 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)acetaldehyde is sourced from PubChem (CID 83826300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).