trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane

C7H12Cl2 — CID 71423224

IUPACtrans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane
SMILESClC[C@@H]1CCC[C@H]1CCl
InChIInChI=1S/C7H12Cl2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKeyYYIOMTOOMISDNU-BQBZGAKWSA-N
MW167.08 g/mol
LogP2.88
Rot. Bonds2

About trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane

trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane (PubChem CID 71423224) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane
PubChem CID71423224
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Nametrans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane
SMILESClC[C@@H]1CCC[C@H]1CCl
InChIInChI=1S/C7H12Cl2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKeyYYIOMTOOMISDNU-BQBZGAKWSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane?
The IUPAC name of trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane (CID 71423224) is trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane.
What is the SMILES notation for trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane?
The canonical SMILES for trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane is ClC[C@@H]1CCC[C@H]1CCl.
What is the InChIKey of trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane?
The InChIKey is YYIOMTOOMISDNU-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12Cl2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2/t6-,7-/m0/s1.
What are the key properties of trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane?
trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane has a molecular weight of 167.08 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane is sourced from PubChem (CID 71423224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).