carbonyl dichloride;2,3-dihydrofuran

C5H6Cl2O2 — CID 174831853

IUPACcarbonyl dichloride;2,3-dihydrofuran
SMILESC1=COCC1.O=C(Cl)Cl
InChIInChI=1S/C4H6O.CCl2O/c1-2-4-5-3-1;2-1(3)4/h1,3H,2,4H2;
InChIKeyUFCUGXLTPJAICW-UHFFFAOYSA-N
MW169.01 g/mol
LogP2.50
Rot. Bonds

About carbonyl dichloride;2,3-dihydrofuran

carbonyl dichloride;2,3-dihydrofuran (PubChem CID 174831853) has the molecular formula C5H6Cl2O2 and a molecular weight of 169.01 g/mol. Its IUPAC name is carbonyl dichloride;2,3-dihydrofuran.

Molecular Properties

Compound Namecarbonyl dichloride;2,3-dihydrofuran
PubChem CID174831853
Molecular FormulaC5H6Cl2O2
Molecular Weight169.01 g/mol
Exact Mass167.97
IUPAC Namecarbonyl dichloride;2,3-dihydrofuran
SMILESC1=COCC1.O=C(Cl)Cl
InChIInChI=1S/C4H6O.CCl2O/c1-2-4-5-3-1;2-1(3)4/h1,3H,2,4H2;
InChIKeyUFCUGXLTPJAICW-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.01
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;2,3-dihydrofuran?
The IUPAC name of carbonyl dichloride;2,3-dihydrofuran (CID 174831853) is carbonyl dichloride;2,3-dihydrofuran.
What is the SMILES notation for carbonyl dichloride;2,3-dihydrofuran?
The canonical SMILES for carbonyl dichloride;2,3-dihydrofuran is C1=COCC1.O=C(Cl)Cl.
What is the InChIKey of carbonyl dichloride;2,3-dihydrofuran?
The InChIKey is UFCUGXLTPJAICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.CCl2O/c1-2-4-5-3-1;2-1(3)4/h1,3H,2,4H2;.
What are the key properties of carbonyl dichloride;2,3-dihydrofuran?
carbonyl dichloride;2,3-dihydrofuran has a molecular weight of 169.01 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;2,3-dihydrofuran is sourced from PubChem (CID 174831853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).