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

C10H13BrFNO — CID 112565518

IUPAC3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine
SMILESFC(c1occc1Br)C1CCCNC1
InChIInChI=1S/C10H13BrFNO/c11-8-3-5-14-10(8)9(12)7-2-1-4-13-6-7/h3,5,7,9,13H,1-2,4,6H2
InChIKeyBZQXGEKMWCGBEO-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.05
Rot. Bonds2

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

3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine (PubChem CID 112565518) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine
PubChem CID112565518
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine
SMILESFC(c1occc1Br)C1CCCNC1
InChIInChI=1S/C10H13BrFNO/c11-8-3-5-14-10(8)9(12)7-2-1-4-13-6-7/h3,5,7,9,13H,1-2,4,6H2
InChIKeyBZQXGEKMWCGBEO-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine?
The IUPAC name of 3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine (CID 112565518) is 3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine.
What is the SMILES notation for 3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine?
The canonical SMILES for 3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine is FC(c1occc1Br)C1CCCNC1.
What is the InChIKey of 3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine?
The InChIKey is BZQXGEKMWCGBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c11-8-3-5-14-10(8)9(12)7-2-1-4-13-6-7/h3,5,7,9,13H,1-2,4,6H2.
What are the key properties of 3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine?
3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine has a molecular weight of 262.12 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromofuran-2-yl)-fluoromethyl]piperidine is sourced from PubChem (CID 112565518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).