1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine

C10H9BrF3N — CID 168512097

IUPAC1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine
SMILESFc1cc(Br)c(N2CCCC2)c(F)c1F
InChIInChI=1S/C10H9BrF3N/c11-6-5-7(12)8(13)9(14)10(6)15-3-1-2-4-15/h5H,1-4H2
InChIKeyKEUPZEWLXTVXDB-UHFFFAOYSA-N
MW280.09 g/mol
LogP3.47
Rot. Bonds1

About 1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine

1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine (PubChem CID 168512097) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is 1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine
PubChem CID168512097
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine
SMILESFc1cc(Br)c(N2CCCC2)c(F)c1F
InChIInChI=1S/C10H9BrF3N/c11-6-5-7(12)8(13)9(14)10(6)15-3-1-2-4-15/h5H,1-4H2
InChIKeyKEUPZEWLXTVXDB-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.47
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine?
The IUPAC name of 1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine (CID 168512097) is 1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine?
The canonical SMILES for 1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine is Fc1cc(Br)c(N2CCCC2)c(F)c1F.
What is the InChIKey of 1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine?
The InChIKey is KEUPZEWLXTVXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N/c11-6-5-7(12)8(13)9(14)10(6)15-3-1-2-4-15/h5H,1-4H2.
What are the key properties of 1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine?
1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine has a molecular weight of 280.09 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine is sourced from PubChem (CID 168512097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).