dichloromethane;1,1,1-trichloropropane

C4H7Cl5 — CID 23328703

IUPACdichloromethane;1,1,1-trichloropropane
SMILESCCC(Cl)(Cl)Cl.ClCCl
InChIInChI=1S/C3H5Cl3.CH2Cl2/c1-2-3(4,5)6;2-1-3/h2H2,1H3;1H2
InChIKeyRBPJBRHBORQFRM-UHFFFAOYSA-N
MW232.36 g/mol
LogP4.19
Rot. Bonds

About dichloromethane;1,1,1-trichloropropane

dichloromethane;1,1,1-trichloropropane (PubChem CID 23328703) has the molecular formula C4H7Cl5 and a molecular weight of 232.36 g/mol. Its IUPAC name is dichloromethane;1,1,1-trichloropropane.

Molecular Properties

Compound Namedichloromethane;1,1,1-trichloropropane
PubChem CID23328703
Molecular FormulaC4H7Cl5
Molecular Weight232.36 g/mol
Exact Mass229.90
IUPAC Namedichloromethane;1,1,1-trichloropropane
SMILESCCC(Cl)(Cl)Cl.ClCCl
InChIInChI=1S/C3H5Cl3.CH2Cl2/c1-2-3(4,5)6;2-1-3/h2H2,1H3;1H2
InChIKeyRBPJBRHBORQFRM-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 54.19
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 dichloromethane;1,1,1-trichloropropane?
The IUPAC name of dichloromethane;1,1,1-trichloropropane (CID 23328703) is dichloromethane;1,1,1-trichloropropane.
What is the SMILES notation for dichloromethane;1,1,1-trichloropropane?
The canonical SMILES for dichloromethane;1,1,1-trichloropropane is CCC(Cl)(Cl)Cl.ClCCl.
What is the InChIKey of dichloromethane;1,1,1-trichloropropane?
The InChIKey is RBPJBRHBORQFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3.CH2Cl2/c1-2-3(4,5)6;2-1-3/h2H2,1H3;1H2.
What are the key properties of dichloromethane;1,1,1-trichloropropane?
dichloromethane;1,1,1-trichloropropane has a molecular weight of 232.36 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;1,1,1-trichloropropane is sourced from PubChem (CID 23328703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).