[(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine

C13H12BrF3N2S — CID 102759536

IUPAC[(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCc1cc(C(F)(F)F)ccc1C(NN)c1ccc(Br)s1
InChIInChI=1S/C13H12BrF3N2S/c1-7-6-8(13(15,16)17)2-3-9(7)12(19-18)10-4-5-11(14)20-10/h2-6,12,19H,18H2,1H3
InChIKeyHOPSOPFNVCBYIC-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.39
Rot. Bonds3

About [(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine

[(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 102759536) has the molecular formula C13H12BrF3N2S and a molecular weight of 365.22 g/mol. Its IUPAC name is [(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID102759536
Molecular FormulaC13H12BrF3N2S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC Name[(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCc1cc(C(F)(F)F)ccc1C(NN)c1ccc(Br)s1
InChIInChI=1S/C13H12BrF3N2S/c1-7-6-8(13(15,16)17)2-3-9(7)12(19-18)10-4-5-11(14)20-10/h2-6,12,19H,18H2,1H3
InChIKeyHOPSOPFNVCBYIC-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.39
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

[(2-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759477
[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine
CID 102759414
[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]hydrazine
CID 102759413
[(2,5-dimethylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759916
[(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105222042
[[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 102760069
1-(5-ethylthiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758626
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
[(5-fluoro-3-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759931
N-[(5-bromothiophen-2-yl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495485
1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513386

Frequently Asked Questions

What is the IUPAC name of [(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine (CID 102759536) is [(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine is Cc1cc(C(F)(F)F)ccc1C(NN)c1ccc(Br)s1.
What is the InChIKey of [(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is HOPSOPFNVCBYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2S/c1-7-6-8(13(15,16)17)2-3-9(7)12(19-18)10-4-5-11(14)20-10/h2-6,12,19H,18H2,1H3.
What are the key properties of [(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine?
[(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 365.22 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 102759536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).