1,1-dichloropropane;1,1,1-trichloropropane

C6H11Cl5 — CID 88785794

IUPAC1,1-dichloropropane;1,1,1-trichloropropane
SMILESCCC(Cl)(Cl)Cl.CCC(Cl)Cl
InChIInChI=1S/C3H5Cl3.C3H6Cl2/c1-2-3(4,5)6;1-2-3(4)5/h2H2,1H3;3H,2H2,1H3
InChIKeyZWAXWQANIIJDOG-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.97
Rot. Bonds1

About 1,1-dichloropropane;1,1,1-trichloropropane

1,1-dichloropropane;1,1,1-trichloropropane (PubChem CID 88785794) has the molecular formula C6H11Cl5 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1,1-dichloropropane;1,1,1-trichloropropane.

Molecular Properties

Compound Name1,1-dichloropropane;1,1,1-trichloropropane
PubChem CID88785794
Molecular FormulaC6H11Cl5
Molecular Weight260.42 g/mol
Exact Mass257.93
IUPAC Name1,1-dichloropropane;1,1,1-trichloropropane
SMILESCCC(Cl)(Cl)Cl.CCC(Cl)Cl
InChIInChI=1S/C3H5Cl3.C3H6Cl2/c1-2-3(4,5)6;1-2-3(4)5/h2H2,1H3;3H,2H2,1H3
InChIKeyZWAXWQANIIJDOG-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1-dichloropropane;1,1,1-trichloropropane?
The IUPAC name of 1,1-dichloropropane;1,1,1-trichloropropane (CID 88785794) is 1,1-dichloropropane;1,1,1-trichloropropane.
What is the SMILES notation for 1,1-dichloropropane;1,1,1-trichloropropane?
The canonical SMILES for 1,1-dichloropropane;1,1,1-trichloropropane is CCC(Cl)(Cl)Cl.CCC(Cl)Cl.
What is the InChIKey of 1,1-dichloropropane;1,1,1-trichloropropane?
The InChIKey is ZWAXWQANIIJDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3.C3H6Cl2/c1-2-3(4,5)6;1-2-3(4)5/h2H2,1H3;3H,2H2,1H3.
What are the key properties of 1,1-dichloropropane;1,1,1-trichloropropane?
1,1-dichloropropane;1,1,1-trichloropropane has a molecular weight of 260.42 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloropropane;1,1,1-trichloropropane is sourced from PubChem (CID 88785794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).