propanoic acid;1,1,2,2-tetrachloroethane

C5H8Cl4O2 — CID 21185452

IUPACpropanoic acid;1,1,2,2-tetrachloroethane
SMILESCCC(=O)O.ClC(Cl)C(Cl)Cl
InChIInChI=1S/C3H6O2.C2H2Cl4/c1-2-3(4)5;3-1(4)2(5)6/h2H2,1H3,(H,4,5);1-2H
InChIKeyYMHVQCNWMJKHLV-UHFFFAOYSA-N
MW241.93 g/mol
LogP3.07
Rot. Bonds2

About propanoic acid;1,1,2,2-tetrachloroethane

propanoic acid;1,1,2,2-tetrachloroethane (PubChem CID 21185452) has the molecular formula C5H8Cl4O2 and a molecular weight of 241.93 g/mol. Its IUPAC name is propanoic acid;1,1,2,2-tetrachloroethane.

Molecular Properties

Compound Namepropanoic acid;1,1,2,2-tetrachloroethane
PubChem CID21185452
Molecular FormulaC5H8Cl4O2
Molecular Weight241.93 g/mol
Exact Mass239.93
IUPAC Namepropanoic acid;1,1,2,2-tetrachloroethane
SMILESCCC(=O)O.ClC(Cl)C(Cl)Cl
InChIInChI=1S/C3H6O2.C2H2Cl4/c1-2-3(4)5;3-1(4)2(5)6/h2H2,1H3,(H,4,5);1-2H
InChIKeyYMHVQCNWMJKHLV-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.93
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;1,1,2,2-tetrachloroethane?
The IUPAC name of propanoic acid;1,1,2,2-tetrachloroethane (CID 21185452) is propanoic acid;1,1,2,2-tetrachloroethane.
What is the SMILES notation for propanoic acid;1,1,2,2-tetrachloroethane?
The canonical SMILES for propanoic acid;1,1,2,2-tetrachloroethane is CCC(=O)O.ClC(Cl)C(Cl)Cl.
What is the InChIKey of propanoic acid;1,1,2,2-tetrachloroethane?
The InChIKey is YMHVQCNWMJKHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H2Cl4/c1-2-3(4)5;3-1(4)2(5)6/h2H2,1H3,(H,4,5);1-2H.
What are the key properties of propanoic acid;1,1,2,2-tetrachloroethane?
propanoic acid;1,1,2,2-tetrachloroethane has a molecular weight of 241.93 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;1,1,2,2-tetrachloroethane is sourced from PubChem (CID 21185452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).