(3S)-1-(3-bromophenyl)-3-fluoropyrrolidine

C10H11BrFN — CID 67170346

IUPAC(3S)-1-(3-bromophenyl)-3-fluoropyrrolidine
SMILESF[C@H]1CCN(c2cccc(Br)c2)C1
InChIInChI=1S/C10H11BrFN/c11-8-2-1-3-10(6-8)13-5-4-9(12)7-13/h1-3,6,9H,4-5,7H2/t9-/m0/s1
InChIKeyKXSYGEAHJXIDQY-VIFPVBQESA-N
MW244.11 g/mol
LogP3.00
Rot. Bonds1

About (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine

(3S)-1-(3-bromophenyl)-3-fluoropyrrolidine (PubChem CID 67170346) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3S)-1-(3-bromophenyl)-3-fluoropyrrolidine
PubChem CID67170346
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name(3S)-1-(3-bromophenyl)-3-fluoropyrrolidine
SMILESF[C@H]1CCN(c2cccc(Br)c2)C1
InChIInChI=1S/C10H11BrFN/c11-8-2-1-3-10(6-8)13-5-4-9(12)7-13/h1-3,6,9H,4-5,7H2/t9-/m0/s1
InChIKeyKXSYGEAHJXIDQY-VIFPVBQESA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine?
The IUPAC name of (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine (CID 67170346) is (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine?
The canonical SMILES for (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine is F[C@H]1CCN(c2cccc(Br)c2)C1.
What is the InChIKey of (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine?
The InChIKey is KXSYGEAHJXIDQY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11BrFN/c11-8-2-1-3-10(6-8)13-5-4-9(12)7-13/h1-3,6,9H,4-5,7H2/t9-/m0/s1.
What are the key properties of (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine?
(3S)-1-(3-bromophenyl)-3-fluoropyrrolidine has a molecular weight of 244.11 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-bromophenyl)-3-fluoropyrrolidine is sourced from PubChem (CID 67170346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).