[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

C13H12BrF3N2S — CID 105235170

IUPAC[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1cccc(C(F)(F)F)c1)c1sccc1Br
InChIInChI=1S/C13H12BrF3N2S/c14-10-4-5-20-12(10)11(19-18)7-8-2-1-3-9(6-8)13(15,16)17/h1-6,11,19H,7,18H2
InChIKeyOJIMLUFIADPVCT-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.28
Rot. Bonds4

About [1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 105235170) has the molecular formula C13H12BrF3N2S and a molecular weight of 365.22 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID105235170
Molecular FormulaC13H12BrF3N2S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC Name[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1cccc(C(F)(F)F)c1)c1sccc1Br
InChIInChI=1S/C13H12BrF3N2S/c14-10-4-5-20-12(10)11(19-18)7-8-2-1-3-9(6-8)13(15,16)17/h1-6,11,19H,7,18H2
InChIKeyOJIMLUFIADPVCT-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'}

Analyze [1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105293218
[1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105268064
[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297810
1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79988045
[1-(3-fluoro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235142
[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 105205541
3-[1-hydrazinyl-2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine
CID 105235141
2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 63797942
[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151632
[1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331594
[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105253379
[1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 102623486

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 105235170) is [1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is NNC(Cc1cccc(C(F)(F)F)c1)c1sccc1Br.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is OJIMLUFIADPVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2S/c14-10-4-5-20-12(10)11(19-18)7-8-2-1-3-9(6-8)13(15,16)17/h1-6,11,19H,7,18H2.
What are the key properties of [1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]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-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105235170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).