1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine

C10H10BrClFN — CID 168515152

IUPAC1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine
SMILESFc1c(Cl)cc(Br)cc1N1CCCC1
InChIInChI=1S/C10H10BrClFN/c11-7-5-8(12)10(13)9(6-7)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyNYTRHNOTZSINIK-UHFFFAOYSA-N
MW278.55 g/mol
LogP3.84
Rot. Bonds1

About 1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine

1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine (PubChem CID 168515152) has the molecular formula C10H10BrClFN and a molecular weight of 278.55 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine
PubChem CID168515152
Molecular FormulaC10H10BrClFN
Molecular Weight278.55 g/mol
Exact Mass276.97
IUPAC Name1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine
SMILESFc1c(Cl)cc(Br)cc1N1CCCC1
InChIInChI=1S/C10H10BrClFN/c11-7-5-8(12)10(13)9(6-7)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyNYTRHNOTZSINIK-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.55
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-[5-bromo-2-(chloromethyl)phenyl]pyrrolidine
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1-(5-bromo-2-chlorophenyl)-1,4-diazepane
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine?
The IUPAC name of 1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine (CID 168515152) is 1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine is Fc1c(Cl)cc(Br)cc1N1CCCC1.
What is the InChIKey of 1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine?
The InChIKey is NYTRHNOTZSINIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN/c11-7-5-8(12)10(13)9(6-7)14-3-1-2-4-14/h5-6H,1-4H2.
What are the key properties of 1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine?
1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine has a molecular weight of 278.55 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-fluorophenyl)pyrrolidine is sourced from PubChem (CID 168515152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).