1,1-dichloroprop-2-enylcyclopropane

C6H8Cl2 — CID 21160145

IUPAC1,1-dichloroprop-2-enylcyclopropane
SMILESC=CC(Cl)(Cl)C1CC1
InChIInChI=1S/C6H8Cl2/c1-2-6(7,8)5-3-4-5/h2,5H,1,3-4H2
InChIKeyLGOVZBZVYUKOJF-UHFFFAOYSA-N
MW151.04 g/mol
LogP2.76
Rot. Bonds2

About 1,1-dichloroprop-2-enylcyclopropane

1,1-dichloroprop-2-enylcyclopropane (PubChem CID 21160145) has the molecular formula C6H8Cl2 and a molecular weight of 151.04 g/mol. Its IUPAC name is 1,1-dichloroprop-2-enylcyclopropane.

Molecular Properties

Compound Name1,1-dichloroprop-2-enylcyclopropane
PubChem CID21160145
Molecular FormulaC6H8Cl2
Molecular Weight151.04 g/mol
Exact Mass150.00
IUPAC Name1,1-dichloroprop-2-enylcyclopropane
SMILESC=CC(Cl)(Cl)C1CC1
InChIInChI=1S/C6H8Cl2/c1-2-6(7,8)5-3-4-5/h2,5H,1,3-4H2
InChIKeyLGOVZBZVYUKOJF-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.04
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroprop-2-enylcyclopropane?
The IUPAC name of 1,1-dichloroprop-2-enylcyclopropane (CID 21160145) is 1,1-dichloroprop-2-enylcyclopropane.
What is the SMILES notation for 1,1-dichloroprop-2-enylcyclopropane?
The canonical SMILES for 1,1-dichloroprop-2-enylcyclopropane is C=CC(Cl)(Cl)C1CC1.
What is the InChIKey of 1,1-dichloroprop-2-enylcyclopropane?
The InChIKey is LGOVZBZVYUKOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2/c1-2-6(7,8)5-3-4-5/h2,5H,1,3-4H2.
What are the key properties of 1,1-dichloroprop-2-enylcyclopropane?
1,1-dichloroprop-2-enylcyclopropane has a molecular weight of 151.04 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroprop-2-enylcyclopropane is sourced from PubChem (CID 21160145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).