1,1-dichloro-2-(chloromethyl)cyclopropane

C4H5Cl3 — CID 10953803

IUPAC1,1-dichloro-2-(chloromethyl)cyclopropane
SMILESClCC1CC1(Cl)Cl
InChIInChI=1S/C4H5Cl3/c5-2-3-1-4(3,6)7/h3H,1-2H2
InChIKeyXLBKTCKKJAGMQS-UHFFFAOYSA-N
MW159.44 g/mol
LogP2.42
Rot. Bonds1

About 1,1-dichloro-2-(chloromethyl)cyclopropane

1,1-dichloro-2-(chloromethyl)cyclopropane (PubChem CID 10953803) has the molecular formula C4H5Cl3 and a molecular weight of 159.44 g/mol. Its IUPAC name is 1,1-dichloro-2-(chloromethyl)cyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2-(chloromethyl)cyclopropane
PubChem CID10953803
Molecular FormulaC4H5Cl3
Molecular Weight159.44 g/mol
Exact Mass157.95
IUPAC Name1,1-dichloro-2-(chloromethyl)cyclopropane
SMILESClCC1CC1(Cl)Cl
InChIInChI=1S/C4H5Cl3/c5-2-3-1-4(3,6)7/h3H,1-2H2
InChIKeyXLBKTCKKJAGMQS-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.44
LogP ≤ 52.42
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-dichloro-2-(chloromethyl)cyclopropane?
The IUPAC name of 1,1-dichloro-2-(chloromethyl)cyclopropane (CID 10953803) is 1,1-dichloro-2-(chloromethyl)cyclopropane.
What is the SMILES notation for 1,1-dichloro-2-(chloromethyl)cyclopropane?
The canonical SMILES for 1,1-dichloro-2-(chloromethyl)cyclopropane is ClCC1CC1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-(chloromethyl)cyclopropane?
The InChIKey is XLBKTCKKJAGMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl3/c5-2-3-1-4(3,6)7/h3H,1-2H2.
What are the key properties of 1,1-dichloro-2-(chloromethyl)cyclopropane?
1,1-dichloro-2-(chloromethyl)cyclopropane has a molecular weight of 159.44 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-(chloromethyl)cyclopropane is sourced from PubChem (CID 10953803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).