4,4-difluoro-3-thiophen-2-ylpiperidine

C9H11F2NS — CID 166519251

IUPAC4,4-difluoro-3-thiophen-2-ylpiperidine
SMILESFC1(F)CCNCC1c1cccs1
InChIInChI=1S/C9H11F2NS/c10-9(11)3-4-12-6-7(9)8-2-1-5-13-8/h1-2,5,7,12H,3-4,6H2
InChIKeyYMMKGZTWUUYFOX-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.46
Rot. Bonds1

About 4,4-difluoro-3-thiophen-2-ylpiperidine

4,4-difluoro-3-thiophen-2-ylpiperidine (PubChem CID 166519251) has the molecular formula C9H11F2NS and a molecular weight of 203.26 g/mol. Its IUPAC name is 4,4-difluoro-3-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-3-thiophen-2-ylpiperidine
PubChem CID166519251
Molecular FormulaC9H11F2NS
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name4,4-difluoro-3-thiophen-2-ylpiperidine
SMILESFC1(F)CCNCC1c1cccs1
InChIInChI=1S/C9H11F2NS/c10-9(11)3-4-12-6-7(9)8-2-1-5-13-8/h1-2,5,7,12H,3-4,6H2
InChIKeyYMMKGZTWUUYFOX-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-thiophen-2-ylpiperidine?
The IUPAC name of 4,4-difluoro-3-thiophen-2-ylpiperidine (CID 166519251) is 4,4-difluoro-3-thiophen-2-ylpiperidine.
What is the SMILES notation for 4,4-difluoro-3-thiophen-2-ylpiperidine?
The canonical SMILES for 4,4-difluoro-3-thiophen-2-ylpiperidine is FC1(F)CCNCC1c1cccs1.
What is the InChIKey of 4,4-difluoro-3-thiophen-2-ylpiperidine?
The InChIKey is YMMKGZTWUUYFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NS/c10-9(11)3-4-12-6-7(9)8-2-1-5-13-8/h1-2,5,7,12H,3-4,6H2.
What are the key properties of 4,4-difluoro-3-thiophen-2-ylpiperidine?
4,4-difluoro-3-thiophen-2-ylpiperidine has a molecular weight of 203.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-thiophen-2-ylpiperidine is sourced from PubChem (CID 166519251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).