[2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine

C13H13F3N2OS — CID 105301456

IUPAC[2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESNNC(Cc1ccsc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2OS/c14-13(15,16)19-12-4-2-1-3-10(12)11(18-17)7-9-5-6-20-8-9/h1-6,8,11,18H,7,17H2
InChIKeyHIHCHKVSTDMTEG-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.39
Rot. Bonds5

About [2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine

[2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine (PubChem CID 105301456) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is [2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
PubChem CID105301456
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name[2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESNNC(Cc1ccsc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2OS/c14-13(15,16)19-12-4-2-1-3-10(12)11(18-17)7-9-5-6-20-8-9/h1-6,8,11,18H,7,17H2
InChIKeyHIHCHKVSTDMTEG-UHFFFAOYSA-N
XLogP3.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-(2,4-difluorophenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105216666
[2-ethoxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105235372
[2-propan-2-yloxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105301408
[1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297744
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
CID 61078567
[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227580
[2-thiophen-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105297747
(1-isoquinolin-8-yl-2-thiophen-3-ylethyl)hydrazine
CID 103141500
[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227240
[1-(5-fluoro-2-pyridinyl)-2-thiophen-3-ylethyl]hydrazine
CID 105248476
2-methyl-1-(thiophen-3-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111848165
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine
CID 105297852

Frequently Asked Questions

What is the IUPAC name of [2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The IUPAC name of [2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine (CID 105301456) is [2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine.
What is the SMILES notation for [2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The canonical SMILES for [2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine is NNC(Cc1ccsc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of [2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The InChIKey is HIHCHKVSTDMTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c14-13(15,16)19-12-4-2-1-3-10(12)11(18-17)7-9-5-6-20-8-9/h1-6,8,11,18H,7,17H2.
What are the key properties of [2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
[2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine has a molecular weight of 302.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105301456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).