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

C14H15BrF2N2S — CID 106271793

IUPAC[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
SMILESCCc1ccc(C(Cc2c(F)ccc(Br)c2F)NN)s1
InChIInChI=1S/C14H15BrF2N2S/c1-2-8-3-6-13(20-8)12(19-18)7-9-11(16)5-4-10(15)14(9)17/h3-6,12,19H,2,7,18H2,1H3
InChIKeySNDARZHGEROZBJ-UHFFFAOYSA-N
MW361.26 g/mol
LogP4.10
Rot. Bonds5

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

[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine (PubChem CID 106271793) has the molecular formula C14H15BrF2N2S and a molecular weight of 361.26 g/mol. Its IUPAC name is [2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
PubChem CID106271793
Molecular FormulaC14H15BrF2N2S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
SMILESCCc1ccc(C(Cc2c(F)ccc(Br)c2F)NN)s1
InChIInChI=1S/C14H15BrF2N2S/c1-2-8-3-6-13(20-8)12(19-18)7-9-11(16)5-4-10(15)14(9)17/h3-6,12,19H,2,7,18H2,1H3
InChIKeySNDARZHGEROZBJ-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 54.10
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-methylthiophen-2-yl)ethyl]hydrazine
CID 106271521
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 106271662
[2-(2-bromo-3-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105327035
[2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105287843
[2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 106271871
[1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 114020220
[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
[1-(5-ethylthiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282687
[2-(3-bromo-2,6-difluorophenyl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 106271954
[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine (CID 106271793) is [2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine is CCc1ccc(C(Cc2c(F)ccc(Br)c2F)NN)s1.
What is the InChIKey of [2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine?
The InChIKey is SNDARZHGEROZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2S/c1-2-8-3-6-13(20-8)12(19-18)7-9-11(16)5-4-10(15)14(9)17/h3-6,12,19H,2,7,18H2,1H3.
What are the key properties of [2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine?
[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine has a molecular weight of 361.26 g/mol, XLogP of 4.10, 5 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-ethylthiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 106271793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).