[1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine

C14H13BrF2N2S — CID 106649115

IUPAC[1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
SMILESNNC(CSc1ccccc1F)c1cccc(Br)c1F
InChIInChI=1S/C14H13BrF2N2S/c15-10-5-3-4-9(14(10)17)12(19-18)8-20-13-7-2-1-6-11(13)16/h1-7,12,19H,8,18H2
InChIKeyQXQKPCQKYCBADH-UHFFFAOYSA-N
MW359.24 g/mol
LogP4.02
Rot. Bonds5

About [1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine

[1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine (PubChem CID 106649115) has the molecular formula C14H13BrF2N2S and a molecular weight of 359.24 g/mol. Its IUPAC name is [1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
PubChem CID106649115
Molecular FormulaC14H13BrF2N2S
Molecular Weight359.24 g/mol
Exact Mass358.00
IUPAC Name[1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
SMILESNNC(CSc1ccccc1F)c1cccc(Br)c1F
InChIInChI=1S/C14H13BrF2N2S/c15-10-5-3-4-9(14(10)17)12(19-18)8-20-13-7-2-1-6-11(13)16/h1-7,12,19H,8,18H2
InChIKeyQXQKPCQKYCBADH-UHFFFAOYSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 54.02
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)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738
[2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105236101
[2-(2-bromophenyl)sulfanyl-1-(2,3-difluoro-4-methylphenyl)ethyl]hydrazine
CID 107516429
[2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105238066
1-(3-bromo-2-fluorophenyl)butylhydrazine
CID 106648656
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107954306
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 106648844
[1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236186
[2-(2-bromophenyl)sulfanyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105238032
[1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine
CID 106649111
[1-(3-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 106648688
1-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine (CID 106649115) is [1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine is NNC(CSc1ccccc1F)c1cccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine?
The InChIKey is QXQKPCQKYCBADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2S/c15-10-5-3-4-9(14(10)17)12(19-18)8-20-13-7-2-1-6-11(13)16/h1-7,12,19H,8,18H2.
What are the key properties of [1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine?
[1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine has a molecular weight of 359.24 g/mol, XLogP of 4.02, 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-(2-fluorophenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 106649115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).