ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline

C15H18F3N3OS — CID 144838082

IUPACethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline
SMILESC=CNN.CNc1cccc(C(F)(F)F)c1SCc1ccco1
InChIInChI=1S/C13H12F3NOS.C2H6N2/c1-17-11-6-2-5-10(13(14,15)16)12(11)19-8-9-4-3-7-18-9;1-2-4-3/h2-7,17H,8H2,1H3;2,4H,1,3H2
InChIKeyFIAYYLCTRPRGCZ-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.23
Rot. Bonds5

About ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline

ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline (PubChem CID 144838082) has the molecular formula C15H18F3N3OS and a molecular weight of 345.39 g/mol. Its IUPAC name is ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Nameethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline
PubChem CID144838082
Molecular FormulaC15H18F3N3OS
Molecular Weight345.39 g/mol
Exact Mass345.11
IUPAC Nameethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline
SMILESC=CNN.CNc1cccc(C(F)(F)F)c1SCc1ccco1
InChIInChI=1S/C13H12F3NOS.C2H6N2/c1-17-11-6-2-5-10(13(14,15)16)12(11)19-8-9-4-3-7-18-9;1-2-4-3/h2-7,17H,8H2,1H3;2,4H,1,3H2
InChIKeyFIAYYLCTRPRGCZ-UHFFFAOYSA-N
XLogP4.23
TPSA63.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline (CID 144838082) is ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline is C=CNN.CNc1cccc(C(F)(F)F)c1SCc1ccco1.
What is the InChIKey of ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline?
The InChIKey is FIAYYLCTRPRGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NOS.C2H6N2/c1-17-11-6-2-5-10(13(14,15)16)12(11)19-8-9-4-3-7-18-9;1-2-4-3/h2-7,17H,8H2,1H3;2,4H,1,3H2.
What are the key properties of ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline?
ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline has a molecular weight of 345.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylhydrazine;2-(furan-2-ylmethylsulfanyl)-N-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 144838082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).