[(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine

C13H13F3N2O2S — CID 105301473

IUPAC[(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
SMILESCOc1ccsc1C(NN)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O2S/c1-19-10-6-7-21-12(10)11(18-17)8-4-2-3-5-9(8)20-13(14,15)16/h2-7,11,18H,17H2,1H3
InChIKeyAZLWNTMKTZMYKC-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.21
Rot. Bonds5

About [(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine

[(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine (PubChem CID 105301473) has the molecular formula C13H13F3N2O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is [(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
PubChem CID105301473
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name[(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
SMILESCOc1ccsc1C(NN)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O2S/c1-19-10-6-7-21-12(10)11(18-17)8-4-2-3-5-9(8)20-13(14,15)16/h2-7,11,18H,17H2,1H3
InChIKeyAZLWNTMKTZMYKC-UHFFFAOYSA-N
XLogP3.21
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
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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Related Compounds

[(2,4-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105303283
[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105303595
1-(3-methoxythiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853851
bis(2-methoxyphenyl)methylhydrazine
CID 105191029
[(3-methoxythiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787198
1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
[(3-methoxythiophen-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105312089
[(3-fluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105304059
N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018408
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
(3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63893911
[(2,5-dimethylfuran-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105301429

Frequently Asked Questions

What is the IUPAC name of [(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
The IUPAC name of [(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine (CID 105301473) is [(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine.
What is the SMILES notation for [(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
The canonical SMILES for [(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine is COc1ccsc1C(NN)c1ccccc1OC(F)(F)F.
What is the InChIKey of [(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
The InChIKey is AZLWNTMKTZMYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S/c1-19-10-6-7-21-12(10)11(18-17)8-4-2-3-5-9(8)20-13(14,15)16/h2-7,11,18H,17H2,1H3.
What are the key properties of [(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
[(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine has a molecular weight of 318.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine is sourced from PubChem (CID 105301473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).