1-chloroprop-2-enyl carbonochloridate

C4H4Cl2O2 — CID 14320654

IUPAC1-chloroprop-2-enyl carbonochloridate
SMILESC=CC(Cl)OC(=O)Cl
InChIInChI=1S/C4H4Cl2O2/c1-2-3(5)8-4(6)7/h2-3H,1H2
InChIKeyCOAVIMDZQLWCTC-UHFFFAOYSA-N
MW154.98 g/mol
LogP2.11
Rot. Bonds2

About 1-chloroprop-2-enyl carbonochloridate

1-chloroprop-2-enyl carbonochloridate (PubChem CID 14320654) has the molecular formula C4H4Cl2O2 and a molecular weight of 154.98 g/mol. Its IUPAC name is 1-chloroprop-2-enyl carbonochloridate.

Molecular Properties

Compound Name1-chloroprop-2-enyl carbonochloridate
PubChem CID14320654
Molecular FormulaC4H4Cl2O2
Molecular Weight154.98 g/mol
Exact Mass153.96
IUPAC Name1-chloroprop-2-enyl carbonochloridate
SMILESC=CC(Cl)OC(=O)Cl
InChIInChI=1S/C4H4Cl2O2/c1-2-3(5)8-4(6)7/h2-3H,1H2
InChIKeyCOAVIMDZQLWCTC-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.98
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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 1-chloroprop-2-enyl carbonochloridate?
The IUPAC name of 1-chloroprop-2-enyl carbonochloridate (CID 14320654) is 1-chloroprop-2-enyl carbonochloridate.
What is the SMILES notation for 1-chloroprop-2-enyl carbonochloridate?
The canonical SMILES for 1-chloroprop-2-enyl carbonochloridate is C=CC(Cl)OC(=O)Cl.
What is the InChIKey of 1-chloroprop-2-enyl carbonochloridate?
The InChIKey is COAVIMDZQLWCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2O2/c1-2-3(5)8-4(6)7/h2-3H,1H2.
What are the key properties of 1-chloroprop-2-enyl carbonochloridate?
1-chloroprop-2-enyl carbonochloridate has a molecular weight of 154.98 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-2-enyl carbonochloridate is sourced from PubChem (CID 14320654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).