2-(4-fluoropiperidin-1-yl)ethanethiol

C7H14FNS — CID 130058616

IUPAC2-(4-fluoropiperidin-1-yl)ethanethiol
SMILESFC1CCN(CCS)CC1
InChIInChI=1S/C7H14FNS/c8-7-1-3-9(4-2-7)5-6-10/h7,10H,1-6H2
InChIKeyCSEGVBQVYINPDD-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.35
Rot. Bonds2

About 2-(4-fluoropiperidin-1-yl)ethanethiol

2-(4-fluoropiperidin-1-yl)ethanethiol (PubChem CID 130058616) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(4-fluoropiperidin-1-yl)ethanethiol
PubChem CID130058616
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name2-(4-fluoropiperidin-1-yl)ethanethiol
SMILESFC1CCN(CCS)CC1
InChIInChI=1S/C7H14FNS/c8-7-1-3-9(4-2-7)5-6-10/h7,10H,1-6H2
InChIKeyCSEGVBQVYINPDD-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropiperidin-1-yl)ethanethiol?
The IUPAC name of 2-(4-fluoropiperidin-1-yl)ethanethiol (CID 130058616) is 2-(4-fluoropiperidin-1-yl)ethanethiol.
What is the SMILES notation for 2-(4-fluoropiperidin-1-yl)ethanethiol?
The canonical SMILES for 2-(4-fluoropiperidin-1-yl)ethanethiol is FC1CCN(CCS)CC1.
What is the InChIKey of 2-(4-fluoropiperidin-1-yl)ethanethiol?
The InChIKey is CSEGVBQVYINPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c8-7-1-3-9(4-2-7)5-6-10/h7,10H,1-6H2.
What are the key properties of 2-(4-fluoropiperidin-1-yl)ethanethiol?
2-(4-fluoropiperidin-1-yl)ethanethiol has a molecular weight of 163.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-1-yl)ethanethiol is sourced from PubChem (CID 130058616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).