[1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine

C12H12BrFN2S — CID 105297744

IUPAC[1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine
SMILESNNC(Cc1ccsc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H12BrFN2S/c13-11-6-9(14)1-2-10(11)12(16-15)5-8-3-4-17-7-8/h1-4,6-7,12,16H,5,15H2
InChIKeyZTVCIHUQLPVZNV-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.40
Rot. Bonds4

About [1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine

[1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine (PubChem CID 105297744) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine
PubChem CID105297744
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name[1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine
SMILESNNC(Cc1ccsc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H12BrFN2S/c13-11-6-9(14)1-2-10(11)12(16-15)5-8-3-4-17-7-8/h1-4,6-7,12,16H,5,15H2
InChIKeyZTVCIHUQLPVZNV-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.40
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

[1-(2,4-difluorophenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105216666
[1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107948008
[1-(5-fluoro-1-benzofuran-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105338710
[1-(4,5-dibromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297866
[1-(2-bromo-4-chlorophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107996645
[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326577
[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297810
[1-(5-fluoro-2-pyridinyl)-2-thiophen-3-ylethyl]hydrazine
CID 105248476
[2-(1-benzothiophen-3-yl)-1-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105291698
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine
CID 105297852
[2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)ethyl]hydrazine
CID 105216503
[2-(2-bromo-5-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 107948135

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine (CID 105297744) is [1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine is NNC(Cc1ccsc1)c1ccc(F)cc1Br.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine?
The InChIKey is ZTVCIHUQLPVZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c13-11-6-9(14)1-2-10(11)12(16-15)5-8-3-4-17-7-8/h1-4,6-7,12,16H,5,15H2.
What are the key properties of [1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine?
[1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine has a molecular weight of 315.21 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine is sourced from PubChem (CID 105297744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).