1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol

C8H14F3NS — CID 135202721

IUPAC1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol
SMILESCC(S)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NS/c1-6(13)12-4-2-7(3-5-12)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyFFCWLACIXZSKLV-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.54
Rot. Bonds1

About 1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol

1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol (PubChem CID 135202721) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol
PubChem CID135202721
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol
SMILESCC(S)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NS/c1-6(13)12-4-2-7(3-5-12)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyFFCWLACIXZSKLV-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.54
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 1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol?
The IUPAC name of 1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol (CID 135202721) is 1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol.
What is the SMILES notation for 1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol?
The canonical SMILES for 1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol is CC(S)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol?
The InChIKey is FFCWLACIXZSKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-6(13)12-4-2-7(3-5-12)8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol?
1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol has a molecular weight of 213.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)piperidin-1-yl]ethanethiol is sourced from PubChem (CID 135202721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).