1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone

C7H11F2NOS — CID 116991119

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone
SMILESO=C(CS)N1CCC(F)(F)CC1
InChIInChI=1S/C7H11F2NOS/c8-7(9)1-3-10(4-2-7)6(11)5-12/h12H,1-5H2
InChIKeyQGENKMGCXQQQMI-UHFFFAOYSA-N
MW195.23 g/mol
LogP1.17
Rot. Bonds1

About 1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone

1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone (PubChem CID 116991119) has the molecular formula C7H11F2NOS and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone
PubChem CID116991119
Molecular FormulaC7H11F2NOS
Molecular Weight195.23 g/mol
Exact Mass195.05
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone
SMILESO=C(CS)N1CCC(F)(F)CC1
InChIInChI=1S/C7H11F2NOS/c8-7(9)1-3-10(4-2-7)6(11)5-12/h12H,1-5H2
InChIKeyQGENKMGCXQQQMI-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.17
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-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone (CID 116991119) is 1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone is O=C(CS)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone?
The InChIKey is QGENKMGCXQQQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NOS/c8-7(9)1-3-10(4-2-7)6(11)5-12/h12H,1-5H2.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone?
1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone has a molecular weight of 195.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-sulfanylethanone is sourced from PubChem (CID 116991119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).