2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine

C10H9BrF3N — CID 117116819

IUPAC2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
SMILESFc1cc(C2CCCN2)c(F)c(Br)c1F
InChIInChI=1S/C10H9BrF3N/c11-8-9(13)5(4-6(12)10(8)14)7-2-1-3-15-7/h4,7,15H,1-3H2
InChIKeyHDTUMBIKXNGYBY-UHFFFAOYSA-N
MW280.09 g/mol
LogP3.29
Rot. Bonds1

About 2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine

2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine (PubChem CID 117116819) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is 2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
PubChem CID117116819
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
SMILESFc1cc(C2CCCN2)c(F)c(Br)c1F
InChIInChI=1S/C10H9BrF3N/c11-8-9(13)5(4-6(12)10(8)14)7-2-1-3-15-7/h4,7,15H,1-3H2
InChIKeyHDTUMBIKXNGYBY-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
2-(2-bromo-3,4-difluorophenyl)piperidine
CID 84714328
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol
CID 117445443
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
2-(3-bromo-4-fluoro-2-methylphenyl)pyrrolidine
CID 84805783
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine
CID 117396450
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519564

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine?
The IUPAC name of 2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine (CID 117116819) is 2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine is Fc1cc(C2CCCN2)c(F)c(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine?
The InChIKey is HDTUMBIKXNGYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N/c11-8-9(13)5(4-6(12)10(8)14)7-2-1-3-15-7/h4,7,15H,1-3H2.
What are the key properties of 2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine?
2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine has a molecular weight of 280.09 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine is sourced from PubChem (CID 117116819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).