3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine

C11H12BrClFN — CID 102620188

IUPAC3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(Cl)c(CN2CCC(Br)C2)c1
InChIInChI=1S/C11H12BrClFN/c12-9-3-4-15(7-9)6-8-5-10(14)1-2-11(8)13/h1-2,5,9H,3-4,6-7H2
InChIKeyKFTCEZVALKALBH-UHFFFAOYSA-N
MW292.58 g/mol
LogP3.45
Rot. Bonds2

About 3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine

3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine (PubChem CID 102620188) has the molecular formula C11H12BrClFN and a molecular weight of 292.58 g/mol. Its IUPAC name is 3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
PubChem CID102620188
Molecular FormulaC11H12BrClFN
Molecular Weight292.58 g/mol
Exact Mass290.98
IUPAC Name3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(Cl)c(CN2CCC(Br)C2)c1
InChIInChI=1S/C11H12BrClFN/c12-9-3-4-15(7-9)6-8-5-10(14)1-2-11(8)13/h1-2,5,9H,3-4,6-7H2
InChIKeyKFTCEZVALKALBH-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.58
LogP ≤ 53.45
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-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
(2R)-4-[(2-chloro-5-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]morpholine
CID 124830182
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 102616953
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
methyl (3S)-1-[(2-chloro-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 102609431
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103576941
1-[(6S)-4-[(2-chloro-5-fluorophenyl)methyl]-6-hydroxy-1,4-diazepan-1-yl]ethanone
CID 97118625
2-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99826521
2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620187

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine (CID 102620188) is 3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine is Fc1ccc(Cl)c(CN2CCC(Br)C2)c1.
What is the InChIKey of 3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine?
The InChIKey is KFTCEZVALKALBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFN/c12-9-3-4-15(7-9)6-8-5-10(14)1-2-11(8)13/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine?
3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine has a molecular weight of 292.58 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 102620188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).