1-(3-bromo-5-fluorophenyl)pyrrolidine

C10H11BrFN — CID 53216219

IUPAC1-(3-bromo-5-fluorophenyl)pyrrolidine
SMILESFc1cc(Br)cc(N2CCCC2)c1
InChIInChI=1S/C10H11BrFN/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2
InChIKeyKYLDQIFHZFNDFI-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.19
Rot. Bonds1

About 1-(3-bromo-5-fluorophenyl)pyrrolidine

1-(3-bromo-5-fluorophenyl)pyrrolidine (PubChem CID 53216219) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)pyrrolidine
PubChem CID53216219
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name1-(3-bromo-5-fluorophenyl)pyrrolidine
SMILESFc1cc(Br)cc(N2CCCC2)c1
InChIInChI=1S/C10H11BrFN/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2
InChIKeyKYLDQIFHZFNDFI-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)pyrrolidine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)pyrrolidine (CID 53216219) is 1-(3-bromo-5-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)pyrrolidine is Fc1cc(Br)cc(N2CCCC2)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)pyrrolidine?
The InChIKey is KYLDQIFHZFNDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)pyrrolidine?
1-(3-bromo-5-fluorophenyl)pyrrolidine has a molecular weight of 244.11 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)pyrrolidine is sourced from PubChem (CID 53216219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).