[2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine

C13H14F2N2S — CID 102842693

IUPAC[2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
SMILESCc1sccc1C(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C13H14F2N2S/c1-8-12(2-3-18-8)13(17-16)6-9-4-10(14)7-11(15)5-9/h2-5,7,13,17H,6,16H2,1H3
InChIKeyAKYWIIFUYGGHJL-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.08
Rot. Bonds4

About [2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine

[2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine (PubChem CID 102842693) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
PubChem CID102842693
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name[2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
SMILESCc1sccc1C(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C13H14F2N2S/c1-8-12(2-3-18-8)13(17-16)6-9-4-10(14)7-11(15)5-9/h2-5,7,13,17H,6,16H2,1H3
InChIKeyAKYWIIFUYGGHJL-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.08
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-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine (CID 102842693) is [2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine is Cc1sccc1C(Cc1cc(F)cc(F)c1)NN.
What is the InChIKey of [2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine?
The InChIKey is AKYWIIFUYGGHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-8-12(2-3-18-8)13(17-16)6-9-4-10(14)7-11(15)5-9/h2-5,7,13,17H,6,16H2,1H3.
What are the key properties of [2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine?
[2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine has a molecular weight of 268.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine is sourced from PubChem (CID 102842693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).