[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine

C13H13Br2FN2S — CID 114022387

IUPAC[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
SMILESCc1cc(F)ccc1CC(NN)c1cc(Br)sc1Br
InChIInChI=1S/C13H13Br2FN2S/c1-7-4-9(16)3-2-8(7)5-11(18-17)10-6-12(14)19-13(10)15/h2-4,6,11,18H,5,17H2,1H3
InChIKeyASMWOHNYODTJBG-UHFFFAOYSA-N
MW408.13 g/mol
LogP4.47
Rot. Bonds4

About [1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine

[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine (PubChem CID 114022387) has the molecular formula C13H13Br2FN2S and a molecular weight of 408.13 g/mol. Its IUPAC name is [1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
PubChem CID114022387
Molecular FormulaC13H13Br2FN2S
Molecular Weight408.13 g/mol
Exact Mass405.92
IUPAC Name[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
SMILESCc1cc(F)ccc1CC(NN)c1cc(Br)sc1Br
InChIInChI=1S/C13H13Br2FN2S/c1-7-4-9(16)3-2-8(7)5-11(18-17)10-6-12(14)19-13(10)15/h2-4,6,11,18H,5,17H2,1H3
InChIKeyASMWOHNYODTJBG-UHFFFAOYSA-N
XLogP4.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.13
LogP ≤ 54.47
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-(2,5-dibromothiophen-3-yl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 107970134
[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 107970529
[1-(2-bromo-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340815
[2-(2-bromophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]hydrazine
CID 107970051
[2-(4-fluoro-2-methylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105340770
[1-(2,5-dibromothiophen-3-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 107970668
[1-(5-bromo-2-methylphenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105291814
N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 107967979
[1-(2,5-dibromothiophen-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107970504
1,2-bis(5-fluoro-2-methylphenyl)ethylhydrazine
CID 105377773
[2-(4-fluoro-2-methylphenyl)-1-pyridazin-4-ylethyl]hydrazine
CID 105340852
[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261810

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine (CID 114022387) is [1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine is Cc1cc(F)ccc1CC(NN)c1cc(Br)sc1Br.
What is the InChIKey of [1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The InChIKey is ASMWOHNYODTJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2FN2S/c1-7-4-9(16)3-2-8(7)5-11(18-17)10-6-12(14)19-13(10)15/h2-4,6,11,18H,5,17H2,1H3.
What are the key properties of [1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine has a molecular weight of 408.13 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 114022387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).