2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine

C10H17BrF3N — CID 80690644

IUPAC2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESFC(F)(F)CCN1CCCC1CCCBr
InChIInChI=1S/C10H17BrF3N/c11-6-1-3-9-4-2-7-15(9)8-5-10(12,13)14/h9H,1-8H2
InChIKeyGCXGZCNPRMWBIU-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.58
Rot. Bonds5

About 2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine

2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine (PubChem CID 80690644) has the molecular formula C10H17BrF3N and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
PubChem CID80690644
Molecular FormulaC10H17BrF3N
Molecular Weight288.15 g/mol
Exact Mass287.05
IUPAC Name2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESFC(F)(F)CCN1CCCC1CCCBr
InChIInChI=1S/C10H17BrF3N/c11-6-1-3-9-4-2-7-15(9)8-5-10(12,13)14/h9H,1-8H2
InChIKeyGCXGZCNPRMWBIU-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine?
The IUPAC name of 2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine (CID 80690644) is 2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine?
The canonical SMILES for 2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine is FC(F)(F)CCN1CCCC1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine?
The InChIKey is GCXGZCNPRMWBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3N/c11-6-1-3-9-4-2-7-15(9)8-5-10(12,13)14/h9H,1-8H2.
What are the key properties of 2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine?
2-(3-bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine has a molecular weight of 288.15 g/mol, XLogP of 3.58, 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-(3,3,3-trifluoropropyl)pyrrolidine is sourced from PubChem (CID 80690644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).