ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide

C13H21F3N2OS — CID 177207586

IUPACethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide
SMILESCC.CC.CSc1ccc(NNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2OS.2C2H6/c1-16-7-4-2-6(3-5-7)13-14-8(15)9(10,11)12;2*1-2/h2-5,13H,1H3,(H,14,15);2*1-2H3
InChIKeyFWLOGJUNUQJWPR-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.47
Rot. Bonds3

About ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide

ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide (PubChem CID 177207586) has the molecular formula C13H21F3N2OS and a molecular weight of 310.39 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide
PubChem CID177207586
Molecular FormulaC13H21F3N2OS
Molecular Weight310.39 g/mol
Exact Mass310.13
IUPAC Nameethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide
SMILESCC.CC.CSc1ccc(NNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2OS.2C2H6/c1-16-7-4-2-6(3-5-7)13-14-8(15)9(10,11)12;2*1-2/h2-5,13H,1H3,(H,14,15);2*1-2H3
InChIKeyFWLOGJUNUQJWPR-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.47
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 ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide?
The IUPAC name of ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide (CID 177207586) is ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide.
What is the SMILES notation for ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide?
The canonical SMILES for ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide is CC.CC.CSc1ccc(NNC(=O)C(F)(F)F)cc1.
What is the InChIKey of ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide?
The InChIKey is FWLOGJUNUQJWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS.2C2H6/c1-16-7-4-2-6(3-5-7)13-14-8(15)9(10,11)12;2*1-2/h2-5,13H,1H3,(H,14,15);2*1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide?
ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide has a molecular weight of 310.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide is sourced from PubChem (CID 177207586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).