[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine

C13H13F3N2S — CID 102759414

IUPAC[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine
SMILESCc1cc(C(F)(F)F)ccc1C(NN)c1ccsc1
InChIInChI=1S/C13H13F3N2S/c1-8-6-10(13(14,15)16)2-3-11(8)12(18-17)9-4-5-19-7-9/h2-7,12,18H,17H2,1H3
InChIKeyJBJOGSCEPXPBSY-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.63
Rot. Bonds3

About [[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine

[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine (PubChem CID 102759414) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is [[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine.

Molecular Properties

Compound Name[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine
PubChem CID102759414
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine
SMILESCc1cc(C(F)(F)F)ccc1C(NN)c1ccsc1
InChIInChI=1S/C13H13F3N2S/c1-8-6-10(13(14,15)16)2-3-11(8)12(18-17)9-4-5-19-7-9/h2-7,12,18H,17H2,1H3
InChIKeyJBJOGSCEPXPBSY-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.63
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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Related Compounds

[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]hydrazine
CID 102759413
[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105196827
[(5-fluoro-3-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759931
[[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 102760069
[(2-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105312068
[(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759536
[(2-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759477
[(2,5-dimethylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759916
[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105196682
[(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105292454
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
CID 102757512
1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757874

Frequently Asked Questions

What is the IUPAC name of [[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine?
The IUPAC name of [[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine (CID 102759414) is [[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine.
What is the SMILES notation for [[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine?
The canonical SMILES for [[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine is Cc1cc(C(F)(F)F)ccc1C(NN)c1ccsc1.
What is the InChIKey of [[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine?
The InChIKey is JBJOGSCEPXPBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-8-6-10(13(14,15)16)2-3-11(8)12(18-17)9-4-5-19-7-9/h2-7,12,18H,17H2,1H3.
What are the key properties of [[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine?
[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine has a molecular weight of 286.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine is sourced from PubChem (CID 102759414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).