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

C10H10BrClFN — CID 131096633

IUPAC(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
SMILESFc1ccc(Cl)c([C@H]2CCCN2)c1Br
InChIInChI=1S/C10H10BrClFN/c11-10-7(13)4-3-6(12)9(10)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2/t8-/m1/s1
InChIKeyVGBILKHSBWCSRJ-MRVPVSSYSA-N
MW278.55 g/mol
LogP3.67
Rot. Bonds1

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

(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine (PubChem CID 131096633) has the molecular formula C10H10BrClFN and a molecular weight of 278.55 g/mol. Its IUPAC name is (2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
PubChem CID131096633
Molecular FormulaC10H10BrClFN
Molecular Weight278.55 g/mol
Exact Mass276.97
IUPAC Name(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
SMILESFc1ccc(Cl)c([C@H]2CCCN2)c1Br
InChIInChI=1S/C10H10BrClFN/c11-10-7(13)4-3-6(12)9(10)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2/t8-/m1/s1
InChIKeyVGBILKHSBWCSRJ-MRVPVSSYSA-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

(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
CID 130622124
6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 131173682
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
CID 171196089
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
2-(3-bromo-4-fluoro-2-methylphenyl)pyrrolidine
CID 84805783
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131086790

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine?
The IUPAC name of (2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine (CID 131096633) is (2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine is Fc1ccc(Cl)c([C@H]2CCCN2)c1Br.
What is the InChIKey of (2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine?
The InChIKey is VGBILKHSBWCSRJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10BrClFN/c11-10-7(13)4-3-6(12)9(10)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2/t8-/m1/s1.
What are the key properties of (2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine?
(2R)-2-(2-bromo-6-chloro-3-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 (2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine is sourced from PubChem (CID 131096633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).