[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine

C9H12BrF3N2S — CID 105313942

IUPAC[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESCc1cc(C(CCC(F)(F)F)NN)sc1Br
InChIInChI=1S/C9H12BrF3N2S/c1-5-4-7(16-8(5)10)6(15-14)2-3-9(11,12)13/h4,6,15H,2-3,14H2,1H3
InChIKeyKKTBXTKPHUJFBU-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.67
Rot. Bonds4

About [1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine

[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105313942) has the molecular formula C9H12BrF3N2S and a molecular weight of 317.17 g/mol. Its IUPAC name is [1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105313942
Molecular FormulaC9H12BrF3N2S
Molecular Weight317.17 g/mol
Exact Mass315.99
IUPAC Name[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESCc1cc(C(CCC(F)(F)F)NN)sc1Br
InChIInChI=1S/C9H12BrF3N2S/c1-5-4-7(16-8(5)10)6(15-14)2-3-9(11,12)13/h4,6,15H,2-3,14H2,1H3
InChIKeyKKTBXTKPHUJFBU-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.67
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-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105300069
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79992190
2-bromo-5-(1-bromo-4,4,4-trifluorobutyl)-3-methylthiophene
CID 79991805
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985173
1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
CID 105294058
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115849742
[1-(5-bromo-4-methylthiophen-2-yl)-2-phenylethyl]hydrazine
CID 105283168
1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 79990885
[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105313895
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321894
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031765
[1-(5-bromo-4-methylthiophen-2-yl)-2-methylpropyl]hydrazine
CID 105281749

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine (CID 105313942) is [1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine is Cc1cc(C(CCC(F)(F)F)NN)sc1Br.
What is the InChIKey of [1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is KKTBXTKPHUJFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF3N2S/c1-5-4-7(16-8(5)10)6(15-14)2-3-9(11,12)13/h4,6,15H,2-3,14H2,1H3.
What are the key properties of [1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine?
[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 317.17 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105313942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).