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

C12H14BrF2N — CID 106640367

IUPAC2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
SMILESFc1ccc(CC(F)C2CCCN2)c(Br)c1
InChIInChI=1S/C12H14BrF2N/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h3-4,7,11-12,16H,1-2,5-6H2
InChIKeyJVLNYBLWXKYWFO-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.22
Rot. Bonds3

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

2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine (PubChem CID 106640367) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
PubChem CID106640367
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
SMILESFc1ccc(CC(F)C2CCCN2)c(Br)c1
InChIInChI=1S/C12H14BrF2N/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h3-4,7,11-12,16H,1-2,5-6H2
InChIKeyJVLNYBLWXKYWFO-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640462
2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine
CID 106871141
2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
CID 83911133
2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine
CID 106635056
2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine
CID 173158939
2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine
CID 83911335
2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
CID 62605945
2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine
CID 106640209
2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine
CID 145138586
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine
CID 106640481
N-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine?
The IUPAC name of 2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine (CID 106640367) is 2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine?
The canonical SMILES for 2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine is Fc1ccc(CC(F)C2CCCN2)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine?
The InChIKey is JVLNYBLWXKYWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c13-10-7-9(14)4-3-8(10)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-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine?
2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine has a molecular weight of 290.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine is sourced from PubChem (CID 106640367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).