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

C12H11F3N2S — CID 105196827

IUPAC[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1ccsc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)10-4-2-1-3-9(10)11(17-16)8-5-6-18-7-8/h1-7,11,17H,16H2
InChIKeyWPBVTHSDCDWODP-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.32
Rot. Bonds3

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

[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105196827) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is [thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105196827
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1ccsc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)10-4-2-1-3-9(10)11(17-16)8-5-6-18-7-8/h1-7,11,17H,16H2
InChIKeyWPBVTHSDCDWODP-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.32
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

[(3-bromo-2-fluorophenyl)-thiophen-3-ylmethyl]hydrazine
CID 106648589
[(2-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105312068
[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine
CID 102759414
[(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107505146
[(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105190882
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105196682
[2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine
CID 105311989
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine
CID 112745538
(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209418
[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine
CID 105196792
[(3-chloro-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105304823

Frequently Asked Questions

What is the IUPAC name of [thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105196827) is [thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine is NNC(c1ccsc1)c1ccccc1C(F)(F)F.
What is the InChIKey of [thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is WPBVTHSDCDWODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c13-12(14,15)10-4-2-1-3-9(10)11(17-16)8-5-6-18-7-8/h1-7,11,17H,16H2.
What are the key properties of [thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 272.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105196827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).