2,3-dichlorobutane

C4H8Cl2 — CID 24233

IUPAC2,3-dichlorobutane
SMILESCC(Cl)C(C)Cl
InChIInChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3
InChIKeyRMISVOPUIFJTEO-UHFFFAOYSA-N
MW127.01 g/mol
LogP2.24
Rot. Bonds1

About 2,3-dichlorobutane

2,3-dichlorobutane (PubChem CID 24233) has the molecular formula C4H8Cl2 and a molecular weight of 127.01 g/mol. Its IUPAC name is 2,3-dichlorobutane.

Molecular Properties

Compound Name2,3-dichlorobutane
PubChem CID24233
Molecular FormulaC4H8Cl2
Molecular Weight127.01 g/mol
Exact Mass126.00
IUPAC Name2,3-dichlorobutane
SMILESCC(Cl)C(C)Cl
InChIInChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3
InChIKeyRMISVOPUIFJTEO-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.01
LogP ≤ 52.24
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-Dichloropropane
CID 6564
1,2-Dichlorobutane
CID 12017
2-Chlorobutane
CID 6563
1,3-Dichlorobutane
CID 14480
1,2-Dichloro-2-methylpropane
CID 117943
Hexane, 1,2-dichloro-
CID 16550
1,2-Dichloro-2-methylbutane
CID 140983
Amylene dichloride
CID 10489
1,2-Dichloro-Propane
CID 445768
1,2,3-Trichlorobutane
CID 29031
1,2-Dichloropentane
CID 15481
1,2,3-Trichloro-2-methylpropane
CID 74636

Frequently Asked Questions

What is the IUPAC name of 2,3-dichlorobutane?
The IUPAC name of 2,3-dichlorobutane (CID 24233) is 2,3-dichlorobutane.
What is the SMILES notation for 2,3-dichlorobutane?
The canonical SMILES for 2,3-dichlorobutane is CC(Cl)C(C)Cl.
What is the InChIKey of 2,3-dichlorobutane?
The InChIKey is RMISVOPUIFJTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3.
What are the key properties of 2,3-dichlorobutane?
2,3-dichlorobutane has a molecular weight of 127.01 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorobutane is sourced from PubChem (CID 24233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).