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

C11H15BrFNS — CID 106635056

IUPAC2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine
SMILESFC(Cc1sccc1Br)C1CCCCN1
InChIInChI=1S/C11H15BrFNS/c12-8-4-6-15-11(8)7-9(13)10-3-1-2-5-14-10/h4,6,9-10,14H,1-3,5,7H2
InChIKeyIVLRUJQODKFXRS-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.53
Rot. Bonds3

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

2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine (PubChem CID 106635056) has the molecular formula C11H15BrFNS and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine
PubChem CID106635056
Molecular FormulaC11H15BrFNS
Molecular Weight292.22 g/mol
Exact Mass291.01
IUPAC Name2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine
SMILESFC(Cc1sccc1Br)C1CCCCN1
InChIInChI=1S/C11H15BrFNS/c12-8-4-6-15-11(8)7-9(13)10-3-1-2-5-14-10/h4,6,9-10,14H,1-3,5,7H2
InChIKeyIVLRUJQODKFXRS-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640367
2-[1-fluoro-2-(furan-3-yl)ethyl]piperidine
CID 106635035
2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640462
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
CID 115790916
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
(2S)-2-[(1S)-1-fluoropropyl]piperidine
CID 124563053
2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 106634943
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 106640377
3-bromo-2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]thiophene
CID 112571116
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine (CID 106635056) is 2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine is FC(Cc1sccc1Br)C1CCCCN1.
What is the InChIKey of 2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine?
The InChIKey is IVLRUJQODKFXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNS/c12-8-4-6-15-11(8)7-9(13)10-3-1-2-5-14-10/h4,6,9-10,14H,1-3,5,7H2.
What are the key properties of 2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine?
2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine has a molecular weight of 292.22 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 106635056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).