acetaldehyde;2-(chloromethyl)furan

C7H9ClO2 — CID 174376101

IUPACacetaldehyde;2-(chloromethyl)furan
SMILESCC=O.ClCc1ccco1
InChIInChI=1S/C5H5ClO.C2H4O/c6-4-5-2-1-3-7-5;1-2-3/h1-3H,4H2;2H,1H3
InChIKeyQSABUKXEOJMGSJ-UHFFFAOYSA-N
MW160.60 g/mol
LogP2.22
Rot. Bonds1

About acetaldehyde;2-(chloromethyl)furan

acetaldehyde;2-(chloromethyl)furan (PubChem CID 174376101) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is acetaldehyde;2-(chloromethyl)furan.

Molecular Properties

Compound Nameacetaldehyde;2-(chloromethyl)furan
PubChem CID174376101
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Nameacetaldehyde;2-(chloromethyl)furan
SMILESCC=O.ClCc1ccco1
InChIInChI=1S/C5H5ClO.C2H4O/c6-4-5-2-1-3-7-5;1-2-3/h1-3H,4H2;2H,1H3
InChIKeyQSABUKXEOJMGSJ-UHFFFAOYSA-N
XLogP2.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-yl)propyl]formamide
CID 87322197
4-(furan-2-yl)butanal
CID 14455558
(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161
2-(3-chloropropyl)furan
CID 12549641
2-(1-deuteriopropyl)furan
CID 141109691
2-(furan-2-ylmethyl)prop-2-enal
CID 117266840
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
2-[[(S)-methylsulfinyl]methyl]furan
CID 119098303
5-(furan-2-yl)pentyl formate
CID 87851919
6-(furan-2-yl)hexyl formate
CID 87852506
(furan-2-ylmethylamino) formate
CID 174755937
furan-2-ylmethanethiol
CID 158949317

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-(chloromethyl)furan?
The IUPAC name of acetaldehyde;2-(chloromethyl)furan (CID 174376101) is acetaldehyde;2-(chloromethyl)furan.
What is the SMILES notation for acetaldehyde;2-(chloromethyl)furan?
The canonical SMILES for acetaldehyde;2-(chloromethyl)furan is CC=O.ClCc1ccco1.
What is the InChIKey of acetaldehyde;2-(chloromethyl)furan?
The InChIKey is QSABUKXEOJMGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO.C2H4O/c6-4-5-2-1-3-7-5;1-2-3/h1-3H,4H2;2H,1H3.
What are the key properties of acetaldehyde;2-(chloromethyl)furan?
acetaldehyde;2-(chloromethyl)furan has a molecular weight of 160.60 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-(chloromethyl)furan is sourced from PubChem (CID 174376101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).