2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride

C8H10Cl4O — CID 12901011

IUPAC2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride
SMILESCC1(C)C(CC(Cl)(Cl)Cl)C1C(=O)Cl
InChIInChI=1S/C8H10Cl4O/c1-7(2)4(3-8(10,11)12)5(7)6(9)13/h4-5H,3H2,1-2H3
InChIKeyPQPIXVUKRIOQBG-UHFFFAOYSA-N
MW263.98 g/mol
LogP3.78
Rot. Bonds2

About 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride

2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride (PubChem CID 12901011) has the molecular formula C8H10Cl4O and a molecular weight of 263.98 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride
PubChem CID12901011
Molecular FormulaC8H10Cl4O
Molecular Weight263.98 g/mol
Exact Mass261.95
IUPAC Name2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride
SMILESCC1(C)C(CC(Cl)(Cl)Cl)C1C(=O)Cl
InChIInChI=1S/C8H10Cl4O/c1-7(2)4(3-8(10,11)12)5(7)6(9)13/h4-5H,3H2,1-2H3
InChIKeyPQPIXVUKRIOQBG-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.98
LogP ≤ 53.78
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'}

Analyze 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride (CID 12901011) is 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride is CC1(C)C(CC(Cl)(Cl)Cl)C1C(=O)Cl.
What is the InChIKey of 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride?
The InChIKey is PQPIXVUKRIOQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl4O/c1-7(2)4(3-8(10,11)12)5(7)6(9)13/h4-5H,3H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride?
2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride has a molecular weight of 263.98 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 12901011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).