2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine

C12H14BrClFN — CID 106640462

IUPAC2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
SMILESFC(Cc1ccc(Br)cc1Cl)C1CCCN1
InChIInChI=1S/C12H14BrClFN/c13-9-4-3-8(10(14)7-9)6-11(15)12-2-1-5-16-12/h3-4,7,11-12,16H,1-2,5-6H2
InChIKeyYMJZIHIROZGEFF-UHFFFAOYSA-N
MW306.61 g/mol
LogP3.74
Rot. Bonds3

About 2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine

2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine (PubChem CID 106640462) has the molecular formula C12H14BrClFN and a molecular weight of 306.61 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
PubChem CID106640462
Molecular FormulaC12H14BrClFN
Molecular Weight306.61 g/mol
Exact Mass305.00
IUPAC Name2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
SMILESFC(Cc1ccc(Br)cc1Cl)C1CCCN1
InChIInChI=1S/C12H14BrClFN/c13-9-4-3-8(10(14)7-9)6-11(15)12-2-1-5-16-12/h3-4,7,11-12,16H,1-2,5-6H2
InChIKeyYMJZIHIROZGEFF-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine
CID 106871141
2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
CID 106640010
2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640367
3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine
CID 106640481
2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine
CID 104703723
2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
CID 106634576
2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine
CID 106640209
2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine
CID 106635056
3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 116756312
3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
CID 113471739
4-(2-fluoro-2-pyrrolidin-2-ylethyl)quinoline
CID 106640524
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine
CID 105037951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine?
The IUPAC name of 2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine (CID 106640462) is 2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine?
The canonical SMILES for 2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine is FC(Cc1ccc(Br)cc1Cl)C1CCCN1.
What is the InChIKey of 2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine?
The InChIKey is YMJZIHIROZGEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFN/c13-9-4-3-8(10(14)7-9)6-11(15)12-2-1-5-16-12/h3-4,7,11-12,16H,1-2,5-6H2.
What are the key properties of 2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine?
2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine has a molecular weight of 306.61 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine is sourced from PubChem (CID 106640462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).