2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine

C13H16BrClFN — CID 106762685

IUPAC2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine
SMILESCCCC1(c2ccc(Br)c(Cl)c2F)CCCN1
InChIInChI=1S/C13H16BrClFN/c1-2-6-13(7-3-8-17-13)9-4-5-10(14)11(15)12(9)16/h4-5,17H,2-3,6-8H2,1H3
InChIKeyCCUUUUSHVADNDM-UHFFFAOYSA-N
MW320.63 g/mol
LogP4.62
Rot. Bonds3

About 2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine

2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine (PubChem CID 106762685) has the molecular formula C13H16BrClFN and a molecular weight of 320.63 g/mol. Its IUPAC name is 2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine.

Molecular Properties

Compound Name2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine
PubChem CID106762685
Molecular FormulaC13H16BrClFN
Molecular Weight320.63 g/mol
Exact Mass319.01
IUPAC Name2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine
SMILESCCCC1(c2ccc(Br)c(Cl)c2F)CCCN1
InChIInChI=1S/C13H16BrClFN/c1-2-6-13(7-3-8-17-13)9-4-5-10(14)11(15)12(9)16/h4-5,17H,2-3,6-8H2,1H3
InChIKeyCCUUUUSHVADNDM-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine
CID 66465348
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
2-(2,4-difluorophenyl)-2-propylazepane
CID 79118364
2-(2-chloro-5-fluorophenyl)-2-propylazepane
CID 105395218
2-(2,4-dimethylphenyl)-2-propylpyrrolidine
CID 66466694
2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
CID 117472518
3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine
CID 106763885
2-(2-fluoro-4-methoxyphenyl)-2-propylazepane
CID 103395692
(4-bromo-3-chloro-2-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 106764011
2-(2,4-dimethoxyphenyl)-2-propylpyrrolidine
CID 66465346
2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine
CID 103433655
1-(4-bromo-3-chloro-2-fluorophenyl)-4-propylcycloheptan-1-amine
CID 106761658

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine?
The IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine (CID 106762685) is 2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine.
What is the SMILES notation for 2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine?
The canonical SMILES for 2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine is CCCC1(c2ccc(Br)c(Cl)c2F)CCCN1.
What is the InChIKey of 2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine?
The InChIKey is CCUUUUSHVADNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClFN/c1-2-6-13(7-3-8-17-13)9-4-5-10(14)11(15)12(9)16/h4-5,17H,2-3,6-8H2,1H3.
What are the key properties of 2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine?
2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine has a molecular weight of 320.63 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine is sourced from PubChem (CID 106762685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).