4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine

C11H20FNS — CID 167943214

IUPAC4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine
SMILESFCC1CCN(CC2CCSC2)CC1
InChIInChI=1S/C11H20FNS/c12-7-10-1-4-13(5-2-10)8-11-3-6-14-9-11/h10-11H,1-9H2
InChIKeyPWHVNGBPZBSWLN-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.42
Rot. Bonds3

About 4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine

4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine (PubChem CID 167943214) has the molecular formula C11H20FNS and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine
PubChem CID167943214
Molecular FormulaC11H20FNS
Molecular Weight217.35 g/mol
Exact Mass217.13
IUPAC Name4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine
SMILESFCC1CCN(CC2CCSC2)CC1
InChIInChI=1S/C11H20FNS/c12-7-10-1-4-13(5-2-10)8-11-3-6-14-9-11/h10-11H,1-9H2
InChIKeyPWHVNGBPZBSWLN-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine?
The IUPAC name of 4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine (CID 167943214) is 4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine?
The canonical SMILES for 4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine is FCC1CCN(CC2CCSC2)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine?
The InChIKey is PWHVNGBPZBSWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNS/c12-7-10-1-4-13(5-2-10)8-11-3-6-14-9-11/h10-11H,1-9H2.
What are the key properties of 4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine?
4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine has a molecular weight of 217.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine is sourced from PubChem (CID 167943214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).