2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine

C8H15BrFN — CID 81113686

IUPAC2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine
SMILESFCCCN1CCCC1CBr
InChIInChI=1S/C8H15BrFN/c9-7-8-3-1-5-11(8)6-2-4-10/h8H,1-7H2
InChIKeyUJXISCFFQBHFHX-UHFFFAOYSA-N
MW224.12 g/mol
LogP2.21
Rot. Bonds4

About 2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine

2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine (PubChem CID 81113686) has the molecular formula C8H15BrFN and a molecular weight of 224.12 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine
PubChem CID81113686
Molecular FormulaC8H15BrFN
Molecular Weight224.12 g/mol
Exact Mass223.04
IUPAC Name2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine
SMILESFCCCN1CCCC1CBr
InChIInChI=1S/C8H15BrFN/c9-7-8-3-1-5-11(8)6-2-4-10/h8H,1-7H2
InChIKeyUJXISCFFQBHFHX-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 52.21
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

2-(Bromomethyl)-1-methylpyrrolidine hydrobromide
CID 56773752
(2R)-2-(bromomethyl)-1-methylpyrrolidinehydrobromide
CID 165477637
2-Bromomethyl-1-methyl-pyrrolidine
CID 22616983
2-(2-Bromoethyl)-1-methylpyrrolidine
CID 59730744
1-(2-Bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine
CID 64758733
2-(Bromomethyl)-1-(trifluoromethyl)pyrrolidine
CID 71648847
2-(Bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine
CID 80668531
2-(Bromomethyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 80676734
2-(Bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 80677165
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

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine (CID 81113686) is 2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine is FCCCN1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine?
The InChIKey is UJXISCFFQBHFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrFN/c9-7-8-3-1-5-11(8)6-2-4-10/h8H,1-7H2.
What are the key properties of 2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine?
2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine has a molecular weight of 224.12 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(3-fluoropropyl)pyrrolidine is sourced from PubChem (CID 81113686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).