1-chloro-3-(4-fluorophenyl)pyrrolidine

C10H11ClFN — CID 89031405

IUPAC1-chloro-3-(4-fluorophenyl)pyrrolidine
SMILESFc1ccc(C2CCN(Cl)C2)cc1
InChIInChI=1S/C10H11ClFN/c11-13-6-5-9(7-13)8-1-3-10(12)4-2-8/h1-4,9H,5-7H2
InChIKeyQZAJECUCZLYLDW-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.77
Rot. Bonds1

About 1-chloro-3-(4-fluorophenyl)pyrrolidine

1-chloro-3-(4-fluorophenyl)pyrrolidine (PubChem CID 89031405) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 1-chloro-3-(4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-chloro-3-(4-fluorophenyl)pyrrolidine
PubChem CID89031405
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name1-chloro-3-(4-fluorophenyl)pyrrolidine
SMILESFc1ccc(C2CCN(Cl)C2)cc1
InChIInChI=1S/C10H11ClFN/c11-13-6-5-9(7-13)8-1-3-10(12)4-2-8/h1-4,9H,5-7H2
InChIKeyQZAJECUCZLYLDW-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-fluorophenyl)pyrrolidine?
The IUPAC name of 1-chloro-3-(4-fluorophenyl)pyrrolidine (CID 89031405) is 1-chloro-3-(4-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-chloro-3-(4-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-chloro-3-(4-fluorophenyl)pyrrolidine is Fc1ccc(C2CCN(Cl)C2)cc1.
What is the InChIKey of 1-chloro-3-(4-fluorophenyl)pyrrolidine?
The InChIKey is QZAJECUCZLYLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-13-6-5-9(7-13)8-1-3-10(12)4-2-8/h1-4,9H,5-7H2.
What are the key properties of 1-chloro-3-(4-fluorophenyl)pyrrolidine?
1-chloro-3-(4-fluorophenyl)pyrrolidine has a molecular weight of 199.66 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 89031405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).