1-(trichloromethyl)pyrrolidine

C5H8Cl3N — CID 70395930

IUPAC1-(trichloromethyl)pyrrolidine
SMILESClC(Cl)(Cl)N1CCCC1
InChIInChI=1S/C5H8Cl3N/c6-5(7,8)9-3-1-2-4-9/h1-4H2
InChIKeyYATIPXQZARRHCG-UHFFFAOYSA-N
MW188.48 g/mol
LogP2.41
Rot. Bonds

About 1-(trichloromethyl)pyrrolidine

1-(trichloromethyl)pyrrolidine (PubChem CID 70395930) has the molecular formula C5H8Cl3N and a molecular weight of 188.48 g/mol. Its IUPAC name is 1-(trichloromethyl)pyrrolidine.

Molecular Properties

Compound Name1-(trichloromethyl)pyrrolidine
PubChem CID70395930
Molecular FormulaC5H8Cl3N
Molecular Weight188.48 g/mol
Exact Mass186.97
IUPAC Name1-(trichloromethyl)pyrrolidine
SMILESClC(Cl)(Cl)N1CCCC1
InChIInChI=1S/C5H8Cl3N/c6-5(7,8)9-3-1-2-4-9/h1-4H2
InChIKeyYATIPXQZARRHCG-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(trichloromethyl)pyrrolidine?
The IUPAC name of 1-(trichloromethyl)pyrrolidine (CID 70395930) is 1-(trichloromethyl)pyrrolidine.
What is the SMILES notation for 1-(trichloromethyl)pyrrolidine?
The canonical SMILES for 1-(trichloromethyl)pyrrolidine is ClC(Cl)(Cl)N1CCCC1.
What is the InChIKey of 1-(trichloromethyl)pyrrolidine?
The InChIKey is YATIPXQZARRHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl3N/c6-5(7,8)9-3-1-2-4-9/h1-4H2.
What are the key properties of 1-(trichloromethyl)pyrrolidine?
1-(trichloromethyl)pyrrolidine has a molecular weight of 188.48 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trichloromethyl)pyrrolidine is sourced from PubChem (CID 70395930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).