2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C4H6F3NOS — CID 60650073

IUPAC2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CS)NCC(F)(F)F
InChIInChI=1S/C4H6F3NOS/c5-4(6,7)2-8-3(9)1-10/h10H,1-2H2,(H,8,9)
InChIKeyJPBDCFUEDUOMOO-UHFFFAOYSA-N
MW173.16 g/mol
LogP0.59
Rot. Bonds2

About 2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60650073) has the molecular formula C4H6F3NOS and a molecular weight of 173.16 g/mol. Its IUPAC name is 2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60650073
Molecular FormulaC4H6F3NOS
Molecular Weight173.16 g/mol
Exact Mass173.01
IUPAC Name2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CS)NCC(F)(F)F
InChIInChI=1S/C4H6F3NOS/c5-4(6,7)2-8-3(9)1-10/h10H,1-2H2,(H,8,9)
InChIKeyJPBDCFUEDUOMOO-UHFFFAOYSA-N
XLogP0.59
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 50.59
H-Bond Donors ≤ 52
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-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 60650073) is 2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CS)NCC(F)(F)F.
What is the InChIKey of 2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JPBDCFUEDUOMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NOS/c5-4(6,7)2-8-3(9)1-10/h10H,1-2H2,(H,8,9).
What are the key properties of 2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 173.16 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60650073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).