[1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine

C14H16BrFN2S — CID 114020220

IUPAC[1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
SMILESCCc1ccc(CC(NN)c2cccc(Br)c2F)s1
InChIInChI=1S/C14H16BrFN2S/c1-2-9-6-7-10(19-9)8-13(18-17)11-4-3-5-12(15)14(11)16/h3-7,13,18H,2,8,17H2,1H3
InChIKeyMHENNFNSGALQPO-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.96
Rot. Bonds5

About [1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine

[1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine (PubChem CID 114020220) has the molecular formula C14H16BrFN2S and a molecular weight of 343.27 g/mol. Its IUPAC name is [1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
PubChem CID114020220
Molecular FormulaC14H16BrFN2S
Molecular Weight343.27 g/mol
Exact Mass342.02
IUPAC Name[1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
SMILESCCc1ccc(CC(NN)c2cccc(Br)c2F)s1
InChIInChI=1S/C14H16BrFN2S/c1-2-9-6-7-10(19-9)8-13(18-17)11-4-3-5-12(15)14(11)16/h3-7,13,18H,2,8,17H2,1H3
InChIKeyMHENNFNSGALQPO-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.96
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-bromo-2-fluorophenyl)butylhydrazine
CID 106648656
[2-(5-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105295770
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107954306
[1-(3-bromo-2-fluorophenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107954375
[2-(2-bromo-3-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105327035
[1-(4-bromophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105192436
[1-(3-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 106648688
1-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741
[1-(5-bromofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296487
[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 106271793
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 106648844

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine (CID 114020220) is [1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine is CCc1ccc(CC(NN)c2cccc(Br)c2F)s1.
What is the InChIKey of [1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine?
The InChIKey is MHENNFNSGALQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2S/c1-2-9-6-7-10(19-9)8-13(18-17)11-4-3-5-12(15)14(11)16/h3-7,13,18H,2,8,17H2,1H3.
What are the key properties of [1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine?
[1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine has a molecular weight of 343.27 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 114020220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).