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

C9H15BrF3N — CID 80690357

IUPAC2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESFC(F)(F)CN1CCCC1CCCBr
InChIInChI=1S/C9H15BrF3N/c10-5-1-3-8-4-2-6-14(8)7-9(11,12)13/h8H,1-7H2
InChIKeyJAVBJHVAAUMLNR-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.19
Rot. Bonds4

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

2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 80690357) has the molecular formula C9H15BrF3N and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID80690357
Molecular FormulaC9H15BrF3N
Molecular Weight274.12 g/mol
Exact Mass273.03
IUPAC Name2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESFC(F)(F)CN1CCCC1CCCBr
InChIInChI=1S/C9H15BrF3N/c10-5-1-3-8-4-2-6-14(8)7-9(11,12)13/h8H,1-7H2
InChIKeyJAVBJHVAAUMLNR-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.19
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-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine
CID 80691753
[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine
CID 43187045
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114526692
2-(3-bromopropyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80690776
2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413123
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310990
2-[1-(2,2-difluoropropyl)pyrrolidin-2-yl]ethanamine
CID 84664108
2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731203
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-(3-bromopropyl)pyrrolidine
CID 114166788
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
CID 103174004
2-(3-bromopropyl)-1-tert-butylsulfonylpyrrolidine
CID 80675102

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 80690357) is 2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine is FC(F)(F)CN1CCCC1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is JAVBJHVAAUMLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF3N/c10-5-1-3-8-4-2-6-14(8)7-9(11,12)13/h8H,1-7H2.
What are the key properties of 2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 274.12 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 80690357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).