2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine

C12H15BrFN — CID 84730136

IUPAC2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine
SMILESCC(F)(c1ccc(Br)cc1)C1CCCN1
InChIInChI=1S/C12H15BrFN/c1-12(14,11-3-2-8-15-11)9-4-6-10(13)7-5-9/h4-7,11,15H,2-3,8H2,1H3
InChIKeyHCNOZBBNPPMWPY-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.39
Rot. Bonds2

About 2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine

2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine (PubChem CID 84730136) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine
PubChem CID84730136
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine
SMILESCC(F)(c1ccc(Br)cc1)C1CCCN1
InChIInChI=1S/C12H15BrFN/c1-12(14,11-3-2-8-15-11)9-4-6-10(13)7-5-9/h4-7,11,15H,2-3,8H2,1H3
InChIKeyHCNOZBBNPPMWPY-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol
CID 105449092
2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
CID 84722501
2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine
CID 116839210
2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
CID 84724881
N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 115159331
(2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine
CID 59628636
2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 116838978
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 6544419
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
bis(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 14813972
2-[(3-bromo-4-methoxyphenyl)-difluoromethyl]piperidine
CID 116839169

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine?
The IUPAC name of 2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine (CID 84730136) is 2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine.
What is the SMILES notation for 2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine?
The canonical SMILES for 2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine is CC(F)(c1ccc(Br)cc1)C1CCCN1.
What is the InChIKey of 2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine?
The InChIKey is HCNOZBBNPPMWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-12(14,11-3-2-8-15-11)9-4-6-10(13)7-5-9/h4-7,11,15H,2-3,8H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine?
2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine has a molecular weight of 272.16 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine is sourced from PubChem (CID 84730136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).