[2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine

C12H12F2N2S — CID 105196943

IUPAC[2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine
SMILESNNC(Cc1c(F)cccc1F)c1ccsc1
InChIInChI=1S/C12H12F2N2S/c13-10-2-1-3-11(14)9(10)6-12(16-15)8-4-5-17-7-8/h1-5,7,12,16H,6,15H2
InChIKeyAXEIWPIWGRIMJH-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.77
Rot. Bonds4

About [2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine

[2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine (PubChem CID 105196943) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine
PubChem CID105196943
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name[2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine
SMILESNNC(Cc1c(F)cccc1F)c1ccsc1
InChIInChI=1S/C12H12F2N2S/c13-10-2-1-3-11(14)9(10)6-12(16-15)8-4-5-17-7-8/h1-5,7,12,16H,6,15H2
InChIKeyAXEIWPIWGRIMJH-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine?
The IUPAC name of [2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine (CID 105196943) is [2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine.
What is the SMILES notation for [2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine?
The canonical SMILES for [2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine is NNC(Cc1c(F)cccc1F)c1ccsc1.
What is the InChIKey of [2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine?
The InChIKey is AXEIWPIWGRIMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c13-10-2-1-3-11(14)9(10)6-12(16-15)8-4-5-17-7-8/h1-5,7,12,16H,6,15H2.
What are the key properties of [2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine?
[2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine has a molecular weight of 254.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine is sourced from PubChem (CID 105196943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).