[2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine

C13H13BrF2N2S — CID 106271521

IUPAC[2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
SMILESCc1ccc(C(Cc2c(F)ccc(Br)c2F)NN)s1
InChIInChI=1S/C13H13BrF2N2S/c1-7-2-5-12(19-7)11(18-17)6-8-10(15)4-3-9(14)13(8)16/h2-5,11,18H,6,17H2,1H3
InChIKeyYGUGSKKCJLNHJZ-UHFFFAOYSA-N
MW347.23 g/mol
LogP3.84
Rot. Bonds4

About [2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine

[2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine (PubChem CID 106271521) has the molecular formula C13H13BrF2N2S and a molecular weight of 347.23 g/mol. Its IUPAC name is [2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
PubChem CID106271521
Molecular FormulaC13H13BrF2N2S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name[2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
SMILESCc1ccc(C(Cc2c(F)ccc(Br)c2F)NN)s1
InChIInChI=1S/C13H13BrF2N2S/c1-7-2-5-12(19-7)11(18-17)6-8-10(15)4-3-9(14)13(8)16/h2-5,11,18H,6,17H2,1H3
InChIKeyYGUGSKKCJLNHJZ-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 106271793
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 106271662
[2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 106271871
[2-(4-chlorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
CID 105197622
[2-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 106270697
[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 106271658
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
[2-(3-bromo-2,6-difluorophenyl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 106271954
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 106274076
[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060
[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271186
[2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271188

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine (CID 106271521) is [2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine is Cc1ccc(C(Cc2c(F)ccc(Br)c2F)NN)s1.
What is the InChIKey of [2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine?
The InChIKey is YGUGSKKCJLNHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N2S/c1-7-2-5-12(19-7)11(18-17)6-8-10(15)4-3-9(14)13(8)16/h2-5,11,18H,6,17H2,1H3.
What are the key properties of [2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine?
[2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine has a molecular weight of 347.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 106271521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).