3-(3-bromo-2-fluorophenyl)pyrrolidine

C10H11BrFN — CID 83720848

IUPAC3-(3-bromo-2-fluorophenyl)pyrrolidine
SMILESFc1c(Br)cccc1C1CCNC1
InChIInChI=1S/C10H11BrFN/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-3,7,13H,4-6H2
InChIKeyRYKWVLADEVKBED-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.67
Rot. Bonds1

About 3-(3-bromo-2-fluorophenyl)pyrrolidine

3-(3-bromo-2-fluorophenyl)pyrrolidine (PubChem CID 83720848) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)pyrrolidine
PubChem CID83720848
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name3-(3-bromo-2-fluorophenyl)pyrrolidine
SMILESFc1c(Br)cccc1C1CCNC1
InChIInChI=1S/C10H11BrFN/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-3,7,13H,4-6H2
InChIKeyRYKWVLADEVKBED-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)pyrrolidine?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)pyrrolidine (CID 83720848) is 3-(3-bromo-2-fluorophenyl)pyrrolidine.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)pyrrolidine?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)pyrrolidine is Fc1c(Br)cccc1C1CCNC1.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)pyrrolidine?
The InChIKey is RYKWVLADEVKBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-3,7,13H,4-6H2.
What are the key properties of 3-(3-bromo-2-fluorophenyl)pyrrolidine?
3-(3-bromo-2-fluorophenyl)pyrrolidine has a molecular weight of 244.11 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluorophenyl)pyrrolidine is sourced from PubChem (CID 83720848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).