2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride

C6H7Cl3O — CID 45081850

IUPAC2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1C(Cl)(Cl)C1(C)C(=O)Cl
InChIInChI=1S/C6H7Cl3O/c1-3-5(2,4(7)10)6(3,8)9/h3H,1-2H3
InChIKeyPBHACDAJPYGTQX-UHFFFAOYSA-N
MW201.48 g/mol
LogP2.58
Rot. Bonds1

About 2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride

2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride (PubChem CID 45081850) has the molecular formula C6H7Cl3O and a molecular weight of 201.48 g/mol. Its IUPAC name is 2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride
PubChem CID45081850
Molecular FormulaC6H7Cl3O
Molecular Weight201.48 g/mol
Exact Mass199.96
IUPAC Name2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1C(Cl)(Cl)C1(C)C(=O)Cl
InChIInChI=1S/C6H7Cl3O/c1-3-5(2,4(7)10)6(3,8)9/h3H,1-2H3
InChIKeyPBHACDAJPYGTQX-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride?
The IUPAC name of 2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride (CID 45081850) is 2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride?
The canonical SMILES for 2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride is CC1C(Cl)(Cl)C1(C)C(=O)Cl.
What is the InChIKey of 2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride?
The InChIKey is PBHACDAJPYGTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl3O/c1-3-5(2,4(7)10)6(3,8)9/h3H,1-2H3.
What are the key properties of 2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride?
2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride has a molecular weight of 201.48 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 45081850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).