[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine

C13H14BrFN2S — CID 105206828

IUPAC[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Br)s1)Cc1ccccc1F
InChIInChI=1S/C13H14BrFN2S/c14-13-6-5-11(18-13)8-10(17-16)7-9-3-1-2-4-12(9)15/h1-6,10,17H,7-8,16H2
InChIKeyHJUTUYQGQNDSHZ-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.27
Rot. Bonds5

About [1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine

[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine (PubChem CID 105206828) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
PubChem CID105206828
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Br)s1)Cc1ccccc1F
InChIInChI=1S/C13H14BrFN2S/c14-13-6-5-11(18-13)8-10(17-16)7-9-3-1-2-4-12(9)15/h1-6,10,17H,7-8,16H2
InChIKeyHJUTUYQGQNDSHZ-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.27
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

N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592294
[1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine
CID 105209681
[1-(5-bromothiophen-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105198819
2-bromo-5-[(2-fluorophenyl)methoxymethyl]thiophene
CID 63936755
[1-(2-fluorophenyl)-3-(furan-2-yl)propan-2-yl]hydrazine
CID 105206963
[1-(2-bromophenyl)sulfanyl-3-(5-bromothiophen-2-yl)propan-2-yl]hydrazine
CID 105238033
[2-(5-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105295770
[1-(4-chlorophenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105197647
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 115840992
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine (CID 105206828) is [1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine is NNC(Cc1ccc(Br)s1)Cc1ccccc1F.
What is the InChIKey of [1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine?
The InChIKey is HJUTUYQGQNDSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c14-13-6-5-11(18-13)8-10(17-16)7-9-3-1-2-4-12(9)15/h1-6,10,17H,7-8,16H2.
What are the key properties of [1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine?
[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine has a molecular weight of 329.24 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105206828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).