2-(chloromethyl)-2,5-dihydrofuran

C5H7ClO — CID 141489804

IUPAC2-(chloromethyl)-2,5-dihydrofuran
SMILESClCC1C=CCO1
InChIInChI=1S/C5H7ClO/c6-4-5-2-1-3-7-5/h1-2,5H,3-4H2
InChIKeyGWRSMEQAKNGNSZ-UHFFFAOYSA-N
MW118.56 g/mol
LogP1.18
Rot. Bonds1

About 2-(chloromethyl)-2,5-dihydrofuran

2-(chloromethyl)-2,5-dihydrofuran (PubChem CID 141489804) has the molecular formula C5H7ClO and a molecular weight of 118.56 g/mol. Its IUPAC name is 2-(chloromethyl)-2,5-dihydrofuran.

Molecular Properties

Compound Name2-(chloromethyl)-2,5-dihydrofuran
PubChem CID141489804
Molecular FormulaC5H7ClO
Molecular Weight118.56 g/mol
Exact Mass118.02
IUPAC Name2-(chloromethyl)-2,5-dihydrofuran
SMILESClCC1C=CCO1
InChIInChI=1S/C5H7ClO/c6-4-5-2-1-3-7-5/h1-2,5H,3-4H2
InChIKeyGWRSMEQAKNGNSZ-UHFFFAOYSA-N
XLogP1.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.56
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2,5-dihydrofuran?
The IUPAC name of 2-(chloromethyl)-2,5-dihydrofuran (CID 141489804) is 2-(chloromethyl)-2,5-dihydrofuran.
What is the SMILES notation for 2-(chloromethyl)-2,5-dihydrofuran?
The canonical SMILES for 2-(chloromethyl)-2,5-dihydrofuran is ClCC1C=CCO1.
What is the InChIKey of 2-(chloromethyl)-2,5-dihydrofuran?
The InChIKey is GWRSMEQAKNGNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO/c6-4-5-2-1-3-7-5/h1-2,5H,3-4H2.
What are the key properties of 2-(chloromethyl)-2,5-dihydrofuran?
2-(chloromethyl)-2,5-dihydrofuran has a molecular weight of 118.56 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2,5-dihydrofuran is sourced from PubChem (CID 141489804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).