1,2-dichloropropane

C3H6Cl2 — CID 6564

IUPAC1,2-dichloropropane
SMILESCC(Cl)CCl
InChIInChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
InChIKeyKNKRKFALVUDBJE-UHFFFAOYSA-N
MW112.99 g/mol
LogP1.85
Rot. Bonds1

About 1,2-dichloropropane

1,2-dichloropropane (PubChem CID 6564) has the molecular formula C3H6Cl2 and a molecular weight of 112.99 g/mol. Its IUPAC name is 1,2-dichloropropane.

Molecular Properties

Compound Name1,2-dichloropropane
PubChem CID6564
Molecular FormulaC3H6Cl2
Molecular Weight112.99 g/mol
Exact Mass111.98
IUPAC Name1,2-dichloropropane
SMILESCC(Cl)CCl
InChIInChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
InChIKeyKNKRKFALVUDBJE-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Trichloropropane
CID 7285
1,3-Dichloropropane
CID 8881
1,1-Dichloropropane
CID 6573
1-Chloropropane
CID 10899
2,3-Dichlorobutane
CID 24233
1,1,2-Trichloropropane
CID 11733
1,2,2-Trichloropropane
CID 18505
1,2-Dichloro-Propane
CID 445768
1,2,3-Trichlorobutane
CID 29031
1,2,3-Trichloro-2-methylpropane
CID 74636
1,1,1,2-Tetrachloropropane
CID 13131
(S)-1,2-dichloropropane
CID 17753912

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloropropane?
The IUPAC name of 1,2-dichloropropane (CID 6564) is 1,2-dichloropropane.
What is the SMILES notation for 1,2-dichloropropane?
The canonical SMILES for 1,2-dichloropropane is CC(Cl)CCl.
What is the InChIKey of 1,2-dichloropropane?
The InChIKey is KNKRKFALVUDBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3.
What are the key properties of 1,2-dichloropropane?
1,2-dichloropropane has a molecular weight of 112.99 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloropropane is sourced from PubChem (CID 6564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).