3-fluoro-3-(thiophen-2-ylmethyl)piperidine

C10H14FNS — CID 83819153

IUPAC3-fluoro-3-(thiophen-2-ylmethyl)piperidine
SMILESFC1(Cc2cccs2)CCCNC1
InChIInChI=1S/C10H14FNS/c11-10(4-2-5-12-8-10)7-9-3-1-6-13-9/h1,3,6,12H,2,4-5,7-8H2
InChIKeyBBOXGYHJIZVHJY-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.38
Rot. Bonds2

About 3-fluoro-3-(thiophen-2-ylmethyl)piperidine

3-fluoro-3-(thiophen-2-ylmethyl)piperidine (PubChem CID 83819153) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-fluoro-3-(thiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(thiophen-2-ylmethyl)piperidine
PubChem CID83819153
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name3-fluoro-3-(thiophen-2-ylmethyl)piperidine
SMILESFC1(Cc2cccs2)CCCNC1
InChIInChI=1S/C10H14FNS/c11-10(4-2-5-12-8-10)7-9-3-1-6-13-9/h1,3,6,12H,2,4-5,7-8H2
InChIKeyBBOXGYHJIZVHJY-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(thiophen-2-ylmethyl)piperidine?
The IUPAC name of 3-fluoro-3-(thiophen-2-ylmethyl)piperidine (CID 83819153) is 3-fluoro-3-(thiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 3-fluoro-3-(thiophen-2-ylmethyl)piperidine?
The canonical SMILES for 3-fluoro-3-(thiophen-2-ylmethyl)piperidine is FC1(Cc2cccs2)CCCNC1.
What is the InChIKey of 3-fluoro-3-(thiophen-2-ylmethyl)piperidine?
The InChIKey is BBOXGYHJIZVHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c11-10(4-2-5-12-8-10)7-9-3-1-6-13-9/h1,3,6,12H,2,4-5,7-8H2.
What are the key properties of 3-fluoro-3-(thiophen-2-ylmethyl)piperidine?
3-fluoro-3-(thiophen-2-ylmethyl)piperidine has a molecular weight of 199.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(thiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 83819153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).