2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide

C4H7F3N2OS — CID 88541472

IUPAC2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide
SMILESNNC(=O)CSCC(F)(F)F
InChIInChI=1S/C4H7F3N2OS/c5-4(6,7)2-11-1-3(10)9-8/h1-2,8H2,(H,9,10)
InChIKeyLPHYFHYCROENSA-UHFFFAOYSA-N
MW188.17 g/mol
LogP0.27
Rot. Bonds3

About 2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide

2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide (PubChem CID 88541472) has the molecular formula C4H7F3N2OS and a molecular weight of 188.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide
PubChem CID88541472
Molecular FormulaC4H7F3N2OS
Molecular Weight188.17 g/mol
Exact Mass188.02
IUPAC Name2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide
SMILESNNC(=O)CSCC(F)(F)F
InChIInChI=1S/C4H7F3N2OS/c5-4(6,7)2-11-1-3(10)9-8/h1-2,8H2,(H,9,10)
InChIKeyLPHYFHYCROENSA-UHFFFAOYSA-N
XLogP0.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide (CID 88541472) is 2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide is NNC(=O)CSCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide?
The InChIKey is LPHYFHYCROENSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2OS/c5-4(6,7)2-11-1-3(10)9-8/h1-2,8H2,(H,9,10).
What are the key properties of 2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide?
2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide has a molecular weight of 188.17 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfanyl)acetohydrazide is sourced from PubChem (CID 88541472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).