2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide

C12H15F3N2OS — CID 22170940

IUPAC2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide
SMILESCCCSc1cc(NNC(=O)C(F)(F)F)ccc1C
InChIInChI=1S/C12H15F3N2OS/c1-3-6-19-10-7-9(5-4-8(10)2)16-17-11(18)12(13,14)15/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyJOBINQNREQPSMS-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.50
Rot. Bonds5

About 2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide

2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide (PubChem CID 22170940) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide
PubChem CID22170940
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide
SMILESCCCSc1cc(NNC(=O)C(F)(F)F)ccc1C
InChIInChI=1S/C12H15F3N2OS/c1-3-6-19-10-7-9(5-4-8(10)2)16-17-11(18)12(13,14)15/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyJOBINQNREQPSMS-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide (CID 22170940) is 2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide is CCCSc1cc(NNC(=O)C(F)(F)F)ccc1C.
What is the InChIKey of 2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide?
The InChIKey is JOBINQNREQPSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-3-6-19-10-7-9(5-4-8(10)2)16-17-11(18)12(13,14)15/h4-5,7,16H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide?
2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide has a molecular weight of 292.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-(4-methyl-3-propylsulfanylphenyl)acetohydrazide is sourced from PubChem (CID 22170940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).