2,3-dichlorobicyclo[2.2.1]heptane

C7H10Cl2 — CID 3613638

IUPAC2,3-dichlorobicyclo[2.2.1]heptane
SMILESClC1C2CCC(C2)C1Cl
InChIInChI=1S/C7H10Cl2/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2
InChIKeyFRNCOQMOHQNWML-UHFFFAOYSA-N
MW165.06 g/mol
LogP2.63
Rot. Bonds

About 2,3-dichlorobicyclo[2.2.1]heptane

2,3-dichlorobicyclo[2.2.1]heptane (PubChem CID 3613638) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 2,3-dichlorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-dichlorobicyclo[2.2.1]heptane
PubChem CID3613638
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name2,3-dichlorobicyclo[2.2.1]heptane
SMILESClC1C2CCC(C2)C1Cl
InChIInChI=1S/C7H10Cl2/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2
InChIKeyFRNCOQMOHQNWML-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 52.63
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 2,3-dichlorobicyclo[2.2.1]heptane?
The IUPAC name of 2,3-dichlorobicyclo[2.2.1]heptane (CID 3613638) is 2,3-dichlorobicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-dichlorobicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-dichlorobicyclo[2.2.1]heptane is ClC1C2CCC(C2)C1Cl.
What is the InChIKey of 2,3-dichlorobicyclo[2.2.1]heptane?
The InChIKey is FRNCOQMOHQNWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2.
What are the key properties of 2,3-dichlorobicyclo[2.2.1]heptane?
2,3-dichlorobicyclo[2.2.1]heptane has a molecular weight of 165.06 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorobicyclo[2.2.1]heptane is sourced from PubChem (CID 3613638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).