1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane

C8H10Cl4 — CID 12554963

IUPAC1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane
SMILESCCCC1CC1(Cl)C(Cl)=C(Cl)Cl
InChIInChI=1S/C8H10Cl4/c1-2-3-5-4-8(5,12)6(9)7(10)11/h5H,2-4H2,1H3
InChIKeyHJFBVIBPVLQDFF-UHFFFAOYSA-N
MW247.98 g/mol
LogP4.67
Rot. Bonds3

About 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane

1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane (PubChem CID 12554963) has the molecular formula C8H10Cl4 and a molecular weight of 247.98 g/mol. Its IUPAC name is 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane.

Molecular Properties

Compound Name1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane
PubChem CID12554963
Molecular FormulaC8H10Cl4
Molecular Weight247.98 g/mol
Exact Mass245.95
IUPAC Name1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane
SMILESCCCC1CC1(Cl)C(Cl)=C(Cl)Cl
InChIInChI=1S/C8H10Cl4/c1-2-3-5-4-8(5,12)6(9)7(10)11/h5H,2-4H2,1H3
InChIKeyHJFBVIBPVLQDFF-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.98
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane 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 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane?
The IUPAC name of 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane (CID 12554963) is 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane.
What is the SMILES notation for 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane?
The canonical SMILES for 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane is CCCC1CC1(Cl)C(Cl)=C(Cl)Cl.
What is the InChIKey of 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane?
The InChIKey is HJFBVIBPVLQDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl4/c1-2-3-5-4-8(5,12)6(9)7(10)11/h5H,2-4H2,1H3.
What are the key properties of 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane?
1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane has a molecular weight of 247.98 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propyl-1-(1,2,2-trichloroethenyl)cyclopropane is sourced from PubChem (CID 12554963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).