4,4-difluoro-1-(thiolan-3-yl)piperidine

C9H15F2NS — CID 121184636

IUPAC4,4-difluoro-1-(thiolan-3-yl)piperidine
SMILESFC1(F)CCN(C2CCSC2)CC1
InChIInChI=1S/C9H15F2NS/c10-9(11)2-4-12(5-3-9)8-1-6-13-7-8/h8H,1-7H2
InChIKeyKPUNYUSURVSSHH-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.22
Rot. Bonds1

About 4,4-difluoro-1-(thiolan-3-yl)piperidine

4,4-difluoro-1-(thiolan-3-yl)piperidine (PubChem CID 121184636) has the molecular formula C9H15F2NS and a molecular weight of 207.29 g/mol. Its IUPAC name is 4,4-difluoro-1-(thiolan-3-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(thiolan-3-yl)piperidine
PubChem CID121184636
Molecular FormulaC9H15F2NS
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4,4-difluoro-1-(thiolan-3-yl)piperidine
SMILESFC1(F)CCN(C2CCSC2)CC1
InChIInChI=1S/C9H15F2NS/c10-9(11)2-4-12(5-3-9)8-1-6-13-7-8/h8H,1-7H2
InChIKeyKPUNYUSURVSSHH-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(thiolan-3-yl)piperidine?
The IUPAC name of 4,4-difluoro-1-(thiolan-3-yl)piperidine (CID 121184636) is 4,4-difluoro-1-(thiolan-3-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(thiolan-3-yl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(thiolan-3-yl)piperidine is FC1(F)CCN(C2CCSC2)CC1.
What is the InChIKey of 4,4-difluoro-1-(thiolan-3-yl)piperidine?
The InChIKey is KPUNYUSURVSSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NS/c10-9(11)2-4-12(5-3-9)8-1-6-13-7-8/h8H,1-7H2.
What are the key properties of 4,4-difluoro-1-(thiolan-3-yl)piperidine?
4,4-difluoro-1-(thiolan-3-yl)piperidine has a molecular weight of 207.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(thiolan-3-yl)piperidine is sourced from PubChem (CID 121184636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).