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

C13H12BrF3N2S — CID 105297852

IUPAC[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine
SMILESNNC(Cc1ccsc1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H12BrF3N2S/c14-11-2-1-9(6-10(11)13(15,16)17)12(19-18)5-8-3-4-20-7-8/h1-4,6-7,12,19H,5,18H2
InChIKeyKANGCZLQVGKPPW-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.28
Rot. Bonds4

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

[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine (PubChem CID 105297852) has the molecular formula C13H12BrF3N2S and a molecular weight of 365.22 g/mol. Its IUPAC name is [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine
PubChem CID105297852
Molecular FormulaC13H12BrF3N2S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC Name[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine
SMILESNNC(Cc1ccsc1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H12BrF3N2S/c14-11-2-1-9(6-10(11)13(15,16)17)12(19-18)5-8-3-4-20-7-8/h1-4,6-7,12,19H,5,18H2
InChIKeyKANGCZLQVGKPPW-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.28
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-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105332123
[1-(4-chloro-3-methylphenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297731
[1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297744
[1-(4,5-dibromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297866
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316604
[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297810
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115847988
[1-(3-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297667
1-(3-bromo-4-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 82808675
[2-thiophen-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105297747
[1-(5-chlorofuran-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 106694313
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325831

Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine?
The IUPAC name of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine (CID 105297852) is [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine.
What is the SMILES notation for [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine?
The canonical SMILES for [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine is NNC(Cc1ccsc1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine?
The InChIKey is KANGCZLQVGKPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2S/c14-11-2-1-9(6-10(11)13(15,16)17)12(19-18)5-8-3-4-20-7-8/h1-4,6-7,12,19H,5,18H2.
What are the key properties of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine?
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine has a molecular weight of 365.22 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine is sourced from PubChem (CID 105297852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).