2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine

C10H10BrClFN — CID 84811433

IUPAC2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine
SMILESFc1c(Br)ccc(Cl)c1C1CCCN1
InChIInChI=1S/C10H10BrClFN/c11-6-3-4-7(12)9(10(6)13)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2
InChIKeyQPWMDNNUKHOLQD-UHFFFAOYSA-N
MW278.55 g/mol
LogP3.67
Rot. Bonds1

About 2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine

2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine (PubChem CID 84811433) has the molecular formula C10H10BrClFN and a molecular weight of 278.55 g/mol. Its IUPAC name is 2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine
PubChem CID84811433
Molecular FormulaC10H10BrClFN
Molecular Weight278.55 g/mol
Exact Mass276.97
IUPAC Name2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine
SMILESFc1c(Br)ccc(Cl)c1C1CCCN1
InChIInChI=1S/C10H10BrClFN/c11-6-3-4-7(12)9(10(6)13)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2
InChIKeyQPWMDNNUKHOLQD-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine?
The IUPAC name of 2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine (CID 84811433) is 2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine is Fc1c(Br)ccc(Cl)c1C1CCCN1.
What is the InChIKey of 2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine?
The InChIKey is QPWMDNNUKHOLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN/c11-6-3-4-7(12)9(10(6)13)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2.
What are the key properties of 2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine?
2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine has a molecular weight of 278.55 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-chloro-2-fluorophenyl)pyrrolidine is sourced from PubChem (CID 84811433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).