3-bromo-1-(3-fluoropropyl)pyrrolidine

C7H13BrFN — CID 81113687

IUPAC3-bromo-1-(3-fluoropropyl)pyrrolidine
SMILESFCCCN1CCC(Br)C1
InChIInChI=1S/C7H13BrFN/c8-7-2-5-10(6-7)4-1-3-9/h7H,1-6H2
InChIKeyFWTKHYQNCFMETE-UHFFFAOYSA-N
MW210.09 g/mol
LogP1.82
Rot. Bonds3

About 3-bromo-1-(3-fluoropropyl)pyrrolidine

3-bromo-1-(3-fluoropropyl)pyrrolidine (PubChem CID 81113687) has the molecular formula C7H13BrFN and a molecular weight of 210.09 g/mol. Its IUPAC name is 3-bromo-1-(3-fluoropropyl)pyrrolidine.

Molecular Properties

Compound Name3-bromo-1-(3-fluoropropyl)pyrrolidine
PubChem CID81113687
Molecular FormulaC7H13BrFN
Molecular Weight210.09 g/mol
Exact Mass209.02
IUPAC Name3-bromo-1-(3-fluoropropyl)pyrrolidine
SMILESFCCCN1CCC(Br)C1
InChIInChI=1S/C7H13BrFN/c8-7-2-5-10(6-7)4-1-3-9/h7H,1-6H2
InChIKeyFWTKHYQNCFMETE-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 51.82
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

3-Bromo-1-methylpyrrolidine
CID 13726279
1-(3-Bromopropyl)pyrrolidine hydrobromide
CID 20135920
1-(2-Bromoethyl)pyrrolidine
CID 12440780
3-Bromo-1-(2,2-difluoroethyl)pyrrolidine
CID 80676188
1-(3-Bromopropyl)pyrrolidine
CID 13034044
1-(3-Bromopropyl)-3,3-difluoropyrrolidine
CID 89545077
1-(2-Bromoethyl)-3,3-difluoropyrrolidine
CID 130712931
1-Ethyl-1-methylpyrrolidine bromide
CID 141485274
1-(2-Bromo-3,3,3-trifluoropropyl)pyrrolidine
CID 14965859
(R)-3-bromo-1-(trifluoromethyl)pyrrolidine
CID 71648808
(S)-3-bromo-1-(trifluoromethyl)pyrrolidine
CID 71648813
3-Bromo-1-(trifluoromethyl)pyrrolidine
CID 71648818

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-fluoropropyl)pyrrolidine?
The IUPAC name of 3-bromo-1-(3-fluoropropyl)pyrrolidine (CID 81113687) is 3-bromo-1-(3-fluoropropyl)pyrrolidine.
What is the SMILES notation for 3-bromo-1-(3-fluoropropyl)pyrrolidine?
The canonical SMILES for 3-bromo-1-(3-fluoropropyl)pyrrolidine is FCCCN1CCC(Br)C1.
What is the InChIKey of 3-bromo-1-(3-fluoropropyl)pyrrolidine?
The InChIKey is FWTKHYQNCFMETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrFN/c8-7-2-5-10(6-7)4-1-3-9/h7H,1-6H2.
What are the key properties of 3-bromo-1-(3-fluoropropyl)pyrrolidine?
3-bromo-1-(3-fluoropropyl)pyrrolidine has a molecular weight of 210.09 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-fluoropropyl)pyrrolidine is sourced from PubChem (CID 81113687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).