[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine

C11H9F3N2S — CID 105196682

IUPAC[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccsc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3N2S/c12-8-2-1-7(9(13)10(8)14)11(16-15)6-3-4-17-5-6/h1-5,11,16H,15H2
InChIKeyAUKQKBHSPQWMJK-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.72
Rot. Bonds3

About [thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine

[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 105196682) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is [thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID105196682
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccsc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3N2S/c12-8-2-1-7(9(13)10(8)14)11(16-15)6-3-4-17-5-6/h1-5,11,16H,15H2
InChIKeyAUKQKBHSPQWMJK-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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
[(3-fluoro-4-methylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105201418
[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105196827
1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 63990472
[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine
CID 102759414
[(2-bromo-6-fluorophenyl)-thiophen-3-ylmethyl]hydrazine
CID 105280312
[(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105238523
[(2,3,4-trifluorophenyl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105305720
[(2,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105216507
[(3-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]hydrazine
CID 105257717
[(4-bromo-3-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305713

Frequently Asked Questions

What is the IUPAC name of [thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 105196682) is [thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine is NNC(c1ccsc1)c1ccc(F)c(F)c1F.
What is the InChIKey of [thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is AUKQKBHSPQWMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c12-8-2-1-7(9(13)10(8)14)11(16-15)6-3-4-17-5-6/h1-5,11,16H,15H2.
What are the key properties of [thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine has a molecular weight of 258.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105196682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).