2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine

C9H17BrFN — CID 80695961

IUPAC2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine
SMILESFCCN1CCCC1CCCBr
InChIInChI=1S/C9H17BrFN/c10-5-1-3-9-4-2-7-12(9)8-6-11/h9H,1-8H2
InChIKeyPJPPRIGMKPGMQD-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.60
Rot. Bonds5

About 2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine

2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine (PubChem CID 80695961) has the molecular formula C9H17BrFN and a molecular weight of 238.14 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine
PubChem CID80695961
Molecular FormulaC9H17BrFN
Molecular Weight238.14 g/mol
Exact Mass237.05
IUPAC Name2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine
SMILESFCCN1CCCC1CCCBr
InChIInChI=1S/C9H17BrFN/c10-5-1-3-9-4-2-7-12(9)8-6-11/h9H,1-8H2
InChIKeyPJPPRIGMKPGMQD-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Bromopropyl)-2,5-dimethylpyrrolidinium bromide
CID 44151969
2-(Bromomethyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 80676734
2-(3-Bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 80690357
2-(3-Bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 80690644
2-(3-Bromopropyl)-1-(2,2-difluoroethyl)pyrrolidine
CID 80691064
2-(2-Bromoethyl)-1-(2-fluoroethyl)piperidine
CID 80694667
2-(Bromomethyl)-1-(2-fluoroethyl)pyrrolidine
CID 80694981
2-(2-Bromoethyl)-1-(3-fluoropropyl)piperidine
CID 81113439
3-Bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane
CID 81113685
2-(Bromomethyl)-1-(3-fluoropropyl)pyrrolidine
CID 81113686
2-(3-Bromopropyl)-1-(3-fluoropropyl)pyrrolidine
CID 81114646
1-(2-Bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine
CID 83220794

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine?
The IUPAC name of 2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine (CID 80695961) is 2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine?
The canonical SMILES for 2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine is FCCN1CCCC1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine?
The InChIKey is PJPPRIGMKPGMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrFN/c10-5-1-3-9-4-2-7-12(9)8-6-11/h9H,1-8H2.
What are the key properties of 2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine?
2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine has a molecular weight of 238.14 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1-(2-fluoroethyl)pyrrolidine is sourced from PubChem (CID 80695961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).