1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane

C6H9Cl3 — CID 2775273

IUPAC1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane
SMILESCC1(C)C(CCl)C1(Cl)Cl
InChIInChI=1S/C6H9Cl3/c1-5(2)4(3-7)6(5,8)9/h4H,3H2,1-2H3
InChIKeyVANFHKYWQQMTOS-UHFFFAOYSA-N
MW187.50 g/mol
LogP3.06
Rot. Bonds1

About 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane

1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane (PubChem CID 2775273) has the molecular formula C6H9Cl3 and a molecular weight of 187.50 g/mol. Its IUPAC name is 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane.

Molecular Properties

Compound Name1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane
PubChem CID2775273
Molecular FormulaC6H9Cl3
Molecular Weight187.50 g/mol
Exact Mass185.98
IUPAC Name1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane
SMILESCC1(C)C(CCl)C1(Cl)Cl
InChIInChI=1S/C6H9Cl3/c1-5(2)4(3-7)6(5,8)9/h4H,3H2,1-2H3
InChIKeyVANFHKYWQQMTOS-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.50
LogP ≤ 53.06
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-3-(chloromethyl)-2,2-dimethylcyclopropane?
The IUPAC name of 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane (CID 2775273) is 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane.
What is the SMILES notation for 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane?
The canonical SMILES for 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane is CC1(C)C(CCl)C1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane?
The InChIKey is VANFHKYWQQMTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl3/c1-5(2)4(3-7)6(5,8)9/h4H,3H2,1-2H3.
What are the key properties of 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane?
1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane has a molecular weight of 187.50 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane is sourced from PubChem (CID 2775273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).