3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine

C11H15BrFNO — CID 112564980

IUPAC3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1occc1Br)C1CCCNC1
InChIInChI=1S/C11H15BrFNO/c1-11(13,8-3-2-5-14-7-8)10-9(12)4-6-15-10/h4,6,8,14H,2-3,5,7H2,1H3
InChIKeyAGHLEWAPPAVSBP-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.23
Rot. Bonds2

About 3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine

3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine (PubChem CID 112564980) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine
PubChem CID112564980
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1occc1Br)C1CCCNC1
InChIInChI=1S/C11H15BrFNO/c1-11(13,8-3-2-5-14-7-8)10-9(12)4-6-15-10/h4,6,8,14H,2-3,5,7H2,1H3
InChIKeyAGHLEWAPPAVSBP-UHFFFAOYSA-N
XLogP3.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine (CID 112564980) is 3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine is CC(F)(c1occc1Br)C1CCCNC1.
What is the InChIKey of 3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine?
The InChIKey is AGHLEWAPPAVSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-11(13,8-3-2-5-14-7-8)10-9(12)4-6-15-10/h4,6,8,14H,2-3,5,7H2,1H3.
What are the key properties of 3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine?
3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine has a molecular weight of 276.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromofuran-2-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112564980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).