2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine

C10H13BrFNO — CID 106634939

IUPAC2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine
SMILESFC(c1occc1Br)C1CCCCN1
InChIInChI=1S/C10H13BrFNO/c11-7-4-6-14-10(7)9(12)8-3-1-2-5-13-8/h4,6,8-9,13H,1-3,5H2
InChIKeyBHJUGEIOFNYKTH-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.19
Rot. Bonds2

About 2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine

2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine (PubChem CID 106634939) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine
PubChem CID106634939
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine
SMILESFC(c1occc1Br)C1CCCCN1
InChIInChI=1S/C10H13BrFNO/c11-7-4-6-14-10(7)9(12)8-3-1-2-5-13-8/h4,6,8-9,13H,1-3,5H2
InChIKeyBHJUGEIOFNYKTH-UHFFFAOYSA-N
XLogP3.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine 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-[(3-bromofuran-2-yl)-fluoromethyl]piperidine?
The IUPAC name of 2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine (CID 106634939) is 2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine.
What is the SMILES notation for 2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine?
The canonical SMILES for 2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine is FC(c1occc1Br)C1CCCCN1.
What is the InChIKey of 2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine?
The InChIKey is BHJUGEIOFNYKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c11-7-4-6-14-10(7)9(12)8-3-1-2-5-13-8/h4,6,8-9,13H,1-3,5H2.
What are the key properties of 2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine?
2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine has a molecular weight of 262.12 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromofuran-2-yl)-fluoromethyl]piperidine is sourced from PubChem (CID 106634939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).