(2-fluorocyclopentyl) 4-bromobenzenesulfinate

C11H12BrFO2S — CID 68784255

IUPAC(2-fluorocyclopentyl) 4-bromobenzenesulfinate
SMILESO=S(OC1CCCC1F)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrFO2S/c12-8-4-6-9(7-5-8)16(14)15-11-3-1-2-10(11)13/h4-7,10-11H,1-3H2
InChIKeyGFPXLLZYFHRRPZ-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.38
Rot. Bonds3

About (2-fluorocyclopentyl) 4-bromobenzenesulfinate

(2-fluorocyclopentyl) 4-bromobenzenesulfinate (PubChem CID 68784255) has the molecular formula C11H12BrFO2S and a molecular weight of 307.18 g/mol. Its IUPAC name is (2-fluorocyclopentyl) 4-bromobenzenesulfinate.

Molecular Properties

Compound Name(2-fluorocyclopentyl) 4-bromobenzenesulfinate
PubChem CID68784255
Molecular FormulaC11H12BrFO2S
Molecular Weight307.18 g/mol
Exact Mass305.97
IUPAC Name(2-fluorocyclopentyl) 4-bromobenzenesulfinate
SMILESO=S(OC1CCCC1F)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrFO2S/c12-8-4-6-9(7-5-8)16(14)15-11-3-1-2-10(11)13/h4-7,10-11H,1-3H2
InChIKeyGFPXLLZYFHRRPZ-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-fluorocyclopentyl) 4-bromobenzenesulfinate 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 (2-fluorocyclopentyl) 4-bromobenzenesulfinate?
The IUPAC name of (2-fluorocyclopentyl) 4-bromobenzenesulfinate (CID 68784255) is (2-fluorocyclopentyl) 4-bromobenzenesulfinate.
What is the SMILES notation for (2-fluorocyclopentyl) 4-bromobenzenesulfinate?
The canonical SMILES for (2-fluorocyclopentyl) 4-bromobenzenesulfinate is O=S(OC1CCCC1F)c1ccc(Br)cc1.
What is the InChIKey of (2-fluorocyclopentyl) 4-bromobenzenesulfinate?
The InChIKey is GFPXLLZYFHRRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2S/c12-8-4-6-9(7-5-8)16(14)15-11-3-1-2-10(11)13/h4-7,10-11H,1-3H2.
What are the key properties of (2-fluorocyclopentyl) 4-bromobenzenesulfinate?
(2-fluorocyclopentyl) 4-bromobenzenesulfinate has a molecular weight of 307.18 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclopentyl) 4-bromobenzenesulfinate is sourced from PubChem (CID 68784255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).