2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine

C10H10BrClFN — CID 84811431

IUPAC2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine
SMILESFc1cc(Br)c(Cl)cc1C1CCCN1
InChIInChI=1S/C10H10BrClFN/c11-7-5-9(13)6(4-8(7)12)10-2-1-3-14-10/h4-5,10,14H,1-3H2
InChIKeyFFJVXGITCXZXIA-UHFFFAOYSA-N
MW278.55 g/mol
LogP3.67
Rot. Bonds1

About 2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine

2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine (PubChem CID 84811431) has the molecular formula C10H10BrClFN and a molecular weight of 278.55 g/mol. Its IUPAC name is 2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine
PubChem CID84811431
Molecular FormulaC10H10BrClFN
Molecular Weight278.55 g/mol
Exact Mass276.97
IUPAC Name2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine
SMILESFc1cc(Br)c(Cl)cc1C1CCCN1
InChIInChI=1S/C10H10BrClFN/c11-7-5-9(13)6(4-8(7)12)10-2-1-3-14-10/h4-5,10,14H,1-3H2
InChIKeyFFJVXGITCXZXIA-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-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine?
The IUPAC name of 2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine (CID 84811431) is 2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine?
The canonical SMILES for 2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine is Fc1cc(Br)c(Cl)cc1C1CCCN1.
What is the InChIKey of 2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine?
The InChIKey is FFJVXGITCXZXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN/c11-7-5-9(13)6(4-8(7)12)10-2-1-3-14-10/h4-5,10,14H,1-3H2.
What are the key properties of 2-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine?
2-(4-bromo-5-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-(4-bromo-5-chloro-2-fluorophenyl)pyrrolidine is sourced from PubChem (CID 84811431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).