[1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine

C8H7BrF6N2S — CID 103312864

IUPAC[1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
SMILESNNC(c1cscc1Br)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7BrF6N2S/c9-4-2-18-1-3(4)5(17-16)6(7(10,11)12)8(13,14)15/h1-2,5-6,17H,16H2
InChIKeyDPSUUPFNWXDWRU-UHFFFAOYSA-N
MW357.12 g/mol
LogP3.76
Rot. Bonds3

About [1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine

[1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine (PubChem CID 103312864) has the molecular formula C8H7BrF6N2S and a molecular weight of 357.12 g/mol. Its IUPAC name is [1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
PubChem CID103312864
Molecular FormulaC8H7BrF6N2S
Molecular Weight357.12 g/mol
Exact Mass355.94
IUPAC Name[1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
SMILESNNC(c1cscc1Br)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7BrF6N2S/c9-4-2-18-1-3(4)5(17-16)6(7(10,11)12)8(13,14)15/h1-2,5-6,17H,16H2
InChIKeyDPSUUPFNWXDWRU-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.12
LogP ≤ 53.76
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-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312812
[1-(4-bromothiophen-3-yl)-2-cyclopropylpropyl]hydrazine
CID 105322583
[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine
CID 105246270
[(2-bromofuran-3-yl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 106860077
[3,3,3-trifluoro-1-(5-methylthiophen-3-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312828
[3,3,3-trifluoro-1-phenyl-2-(trifluoromethyl)propyl]hydrazine
CID 103312705
[(4-bromo-3-fluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 105322671
[1-(4-bromothiophen-3-yl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274324
[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 107541246
[(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methyl]hydrazine
CID 105322667
1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240804
1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine
CID 79596424

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The IUPAC name of [1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine (CID 103312864) is [1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine.
What is the SMILES notation for [1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The canonical SMILES for [1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine is NNC(c1cscc1Br)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The InChIKey is DPSUUPFNWXDWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF6N2S/c9-4-2-18-1-3(4)5(17-16)6(7(10,11)12)8(13,14)15/h1-2,5-6,17H,16H2.
What are the key properties of [1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
[1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine has a molecular weight of 357.12 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine is sourced from PubChem (CID 103312864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).