[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine

C13H11Br2F3N2S — CID 105212857

IUPAC[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1cc(Br)cs1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H11Br2F3N2S/c14-7-1-2-10(11(4-7)13(16,17)18)12(20-19)5-9-3-8(15)6-21-9/h1-4,6,12,20H,5,19H2
InChIKeyZBWPJEBWIZDTNE-UHFFFAOYSA-N
MW444.11 g/mol
LogP5.04
Rot. Bonds4

About [2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine

[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 105212857) has the molecular formula C13H11Br2F3N2S and a molecular weight of 444.11 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID105212857
Molecular FormulaC13H11Br2F3N2S
Molecular Weight444.11 g/mol
Exact Mass441.90
IUPAC Name[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1cc(Br)cs1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H11Br2F3N2S/c14-7-1-2-10(11(4-7)13(16,17)18)12(20-19)5-9-3-8(15)6-21-9/h1-4,6,12,20H,5,19H2
InChIKeyZBWPJEBWIZDTNE-UHFFFAOYSA-N
XLogP5.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.11
LogP ≤ 55.04
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

4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105263590
2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline
CID 105264927
[1-(5-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299240
[1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine
CID 105212854
[2-(4-bromothiophen-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213280
[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
[1-(3-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299354
[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine
CID 103026706
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256
[2-(4-bromothiophen-2-yl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 105193124
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115847988
4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231274

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 105212857) is [2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine is NNC(Cc1cc(Br)cs1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is ZBWPJEBWIZDTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2F3N2S/c14-7-1-2-10(11(4-7)13(16,17)18)12(20-19)5-9-3-8(15)6-21-9/h1-4,6,12,20H,5,19H2.
What are the key properties of [2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine?
[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine has a molecular weight of 444.11 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105212857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).