1-(2-chloroethyl)-1-(chloromethyl)cyclopropane

C6H10Cl2 — CID 167719420

IUPAC1-(2-chloroethyl)-1-(chloromethyl)cyclopropane
SMILESClCCC1(CCl)CC1
InChIInChI=1S/C6H10Cl2/c7-4-3-6(5-8)1-2-6/h1-5H2
InChIKeyABJSEVUKRXTMPX-UHFFFAOYSA-N
MW153.05 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-chloroethyl)-1-(chloromethyl)cyclopropane

1-(2-chloroethyl)-1-(chloromethyl)cyclopropane (PubChem CID 167719420) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is 1-(2-chloroethyl)-1-(chloromethyl)cyclopropane.

Molecular Properties

Compound Name1-(2-chloroethyl)-1-(chloromethyl)cyclopropane
PubChem CID167719420
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name1-(2-chloroethyl)-1-(chloromethyl)cyclopropane
SMILESClCCC1(CCl)CC1
InChIInChI=1S/C6H10Cl2/c7-4-3-6(5-8)1-2-6/h1-5H2
InChIKeyABJSEVUKRXTMPX-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
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 1-(2-chloroethyl)-1-(chloromethyl)cyclopropane?
The IUPAC name of 1-(2-chloroethyl)-1-(chloromethyl)cyclopropane (CID 167719420) is 1-(2-chloroethyl)-1-(chloromethyl)cyclopropane.
What is the SMILES notation for 1-(2-chloroethyl)-1-(chloromethyl)cyclopropane?
The canonical SMILES for 1-(2-chloroethyl)-1-(chloromethyl)cyclopropane is ClCCC1(CCl)CC1.
What is the InChIKey of 1-(2-chloroethyl)-1-(chloromethyl)cyclopropane?
The InChIKey is ABJSEVUKRXTMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c7-4-3-6(5-8)1-2-6/h1-5H2.
What are the key properties of 1-(2-chloroethyl)-1-(chloromethyl)cyclopropane?
1-(2-chloroethyl)-1-(chloromethyl)cyclopropane has a molecular weight of 153.05 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-1-(chloromethyl)cyclopropane is sourced from PubChem (CID 167719420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).