1,1-dichloropropane

C3H6Cl2 — CID 6573

IUPAC1,1-dichloropropane
SMILESCCC(Cl)Cl
InChIInChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3
InChIKeyWIHMGGWNMISDNJ-UHFFFAOYSA-N
MW112.99 g/mol
LogP2.20
Rot. Bonds1

About 1,1-dichloropropane

1,1-dichloropropane (PubChem CID 6573) has the molecular formula C3H6Cl2 and a molecular weight of 112.99 g/mol. Its IUPAC name is 1,1-dichloropropane.

Molecular Properties

Compound Name1,1-dichloropropane
PubChem CID6573
Molecular FormulaC3H6Cl2
Molecular Weight112.99 g/mol
Exact Mass111.98
IUPAC Name1,1-dichloropropane
SMILESCCC(Cl)Cl
InChIInChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3
InChIKeyWIHMGGWNMISDNJ-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.99
LogP ≤ 52.20
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?
The IUPAC name of 1,1-dichloropropane (CID 6573) is 1,1-dichloropropane.
What is the SMILES notation for 1,1-dichloropropane?
The canonical SMILES for 1,1-dichloropropane is CCC(Cl)Cl.
What is the InChIKey of 1,1-dichloropropane?
The InChIKey is WIHMGGWNMISDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3.
What are the key properties of 1,1-dichloropropane?
1,1-dichloropropane has a molecular weight of 112.99 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloropropane is sourced from PubChem (CID 6573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).