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

C10H10BrClFN — CID 117446831

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

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

2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine (PubChem CID 117446831) has the molecular formula C10H10BrClFN and a molecular weight of 278.55 g/mol. Its IUPAC name is 2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine
PubChem CID117446831
Molecular FormulaC10H10BrClFN
Molecular Weight278.55 g/mol
Exact Mass276.97
IUPAC Name2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine
SMILESFc1c(Cl)ccc(Br)c1C1CCCN1
InChIInChI=1S/C10H10BrClFN/c11-6-3-4-7(12)10(13)9(6)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2
InChIKeyRYQFYIMGSOFUQB-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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Related Compounds

(1R)-1-(2-bromo-5-chlorophenyl)propan-1-amine hydrochloride
CID 121362480
(1r)-1-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 121362439
6-Bromo-3-chloro-2-fluorobenzylamine
CID 83409842
2-(5-Bromo-2-chlorophenyl)pyrrolidine
CID 3906446
4-bromo-7-chloro-2,3-dihydro-1H-isoindole
CID 130064557
2-(5-Chloro-2-fluorophenyl)pyrrolidine hydrochloride
CID 137942521
2-(3-Bromo-5-chlorophenyl)pyrrolidine hydrochloride
CID 137964098
(1R)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022360
(1S)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022362
2-(3-Chloro-5-fluorophenyl)pyrrolidine hydrochloride
CID 165654732
2-(2-Bromo-4-fluorophenyl)pyrrolidine
CID 20115238
2-(2-Bromo-5-fluorophenyl)pyrrolidine
CID 20118241

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine?
The IUPAC name of 2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine (CID 117446831) is 2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine?
The canonical SMILES for 2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine is Fc1c(Cl)ccc(Br)c1C1CCCN1.
What is the InChIKey of 2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine?
The InChIKey is RYQFYIMGSOFUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN/c11-6-3-4-7(12)10(13)9(6)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2.
What are the key properties of 2-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine?
2-(6-bromo-3-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-(6-bromo-3-chloro-2-fluorophenyl)pyrrolidine is sourced from PubChem (CID 117446831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).