1-chloropropane;1,1,1,3-tetrachloropropane

C6H11Cl5 — CID 88748957

IUPAC1-chloropropane;1,1,1,3-tetrachloropropane
SMILESCCCCl.ClCCC(Cl)(Cl)Cl
InChIInChI=1S/C3H4Cl4.C3H7Cl/c4-2-1-3(5,6)7;1-2-3-4/h1-2H2;2-3H2,1H3
InChIKeyRYUFFACGRUQHNF-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.62
Rot. Bonds2

About 1-chloropropane;1,1,1,3-tetrachloropropane

1-chloropropane;1,1,1,3-tetrachloropropane (PubChem CID 88748957) has the molecular formula C6H11Cl5 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-chloropropane;1,1,1,3-tetrachloropropane.

Molecular Properties

Compound Name1-chloropropane;1,1,1,3-tetrachloropropane
PubChem CID88748957
Molecular FormulaC6H11Cl5
Molecular Weight260.42 g/mol
Exact Mass257.93
IUPAC Name1-chloropropane;1,1,1,3-tetrachloropropane
SMILESCCCCl.ClCCC(Cl)(Cl)Cl
InChIInChI=1S/C3H4Cl4.C3H7Cl/c4-2-1-3(5,6)7;1-2-3-4/h1-2H2;2-3H2,1H3
InChIKeyRYUFFACGRUQHNF-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloropropane;1,1,1,3-tetrachloropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloropropane;1,1,1,3-tetrachloropropane?
The IUPAC name of 1-chloropropane;1,1,1,3-tetrachloropropane (CID 88748957) is 1-chloropropane;1,1,1,3-tetrachloropropane.
What is the SMILES notation for 1-chloropropane;1,1,1,3-tetrachloropropane?
The canonical SMILES for 1-chloropropane;1,1,1,3-tetrachloropropane is CCCCl.ClCCC(Cl)(Cl)Cl.
What is the InChIKey of 1-chloropropane;1,1,1,3-tetrachloropropane?
The InChIKey is RYUFFACGRUQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl4.C3H7Cl/c4-2-1-3(5,6)7;1-2-3-4/h1-2H2;2-3H2,1H3.
What are the key properties of 1-chloropropane;1,1,1,3-tetrachloropropane?
1-chloropropane;1,1,1,3-tetrachloropropane has a molecular weight of 260.42 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane;1,1,1,3-tetrachloropropane is sourced from PubChem (CID 88748957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).