5-(trichloromethyl)-2,3-dihydro-1H-pyrrole

C5H6Cl3N — CID 168863926

IUPAC5-(trichloromethyl)-2,3-dihydro-1H-pyrrole
SMILESClC(Cl)(Cl)C1=CCCN1
InChIInChI=1S/C5H6Cl3N/c6-5(7,8)4-2-1-3-9-4/h2,9H,1,3H2
InChIKeyPXSUZVLQOPMWOE-UHFFFAOYSA-N
MW186.47 g/mol
LogP2.23
Rot. Bonds

About 5-(trichloromethyl)-2,3-dihydro-1H-pyrrole

5-(trichloromethyl)-2,3-dihydro-1H-pyrrole (PubChem CID 168863926) has the molecular formula C5H6Cl3N and a molecular weight of 186.47 g/mol. Its IUPAC name is 5-(trichloromethyl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-(trichloromethyl)-2,3-dihydro-1H-pyrrole
PubChem CID168863926
Molecular FormulaC5H6Cl3N
Molecular Weight186.47 g/mol
Exact Mass184.96
IUPAC Name5-(trichloromethyl)-2,3-dihydro-1H-pyrrole
SMILESClC(Cl)(Cl)C1=CCCN1
InChIInChI=1S/C5H6Cl3N/c6-5(7,8)4-2-1-3-9-4/h2,9H,1,3H2
InChIKeyPXSUZVLQOPMWOE-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-(trichloromethyl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-(trichloromethyl)-2,3-dihydro-1H-pyrrole (CID 168863926) is 5-(trichloromethyl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-(trichloromethyl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-(trichloromethyl)-2,3-dihydro-1H-pyrrole is ClC(Cl)(Cl)C1=CCCN1.
What is the InChIKey of 5-(trichloromethyl)-2,3-dihydro-1H-pyrrole?
The InChIKey is PXSUZVLQOPMWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl3N/c6-5(7,8)4-2-1-3-9-4/h2,9H,1,3H2.
What are the key properties of 5-(trichloromethyl)-2,3-dihydro-1H-pyrrole?
5-(trichloromethyl)-2,3-dihydro-1H-pyrrole has a molecular weight of 186.47 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trichloromethyl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 168863926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).