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

C15H22BrFN2S — CID 105227890

IUPAC[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
SMILESNNC(CSC1CCCCC1)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H22BrFN2S/c16-15-7-6-12(17)8-11(15)9-13(19-18)10-20-14-4-2-1-3-5-14/h6-8,13-14,19H,1-5,9-10,18H2
InChIKeyATGAEXLERSXVFK-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.03
Rot. Bonds6

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

[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine (PubChem CID 105227890) has the molecular formula C15H22BrFN2S and a molecular weight of 361.32 g/mol. Its IUPAC name is [1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
PubChem CID105227890
Molecular FormulaC15H22BrFN2S
Molecular Weight361.32 g/mol
Exact Mass360.07
IUPAC Name[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
SMILESNNC(CSC1CCCCC1)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H22BrFN2S/c16-15-7-6-12(17)8-11(15)9-13(19-18)10-20-14-4-2-1-3-5-14/h6-8,13-14,19H,1-5,9-10,18H2
InChIKeyATGAEXLERSXVFK-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.03
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-cyclopentylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105227601
[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227494
[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170468
[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227417
1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
CID 105373963
[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 107895084
[1-cyclopentylsulfanyl-3-(2,5-dichlorophenyl)propan-2-yl]hydrazine
CID 105227623
[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105227835
1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
(1-cyclopentylsulfanyl-3-naphthalen-1-ylpropan-2-yl)hydrazine
CID 105227571

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine (CID 105227890) is [1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine is NNC(CSC1CCCCC1)Cc1cc(F)ccc1Br.
What is the InChIKey of [1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine?
The InChIKey is ATGAEXLERSXVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2S/c16-15-7-6-12(17)8-11(15)9-13(19-18)10-20-14-4-2-1-3-5-14/h6-8,13-14,19H,1-5,9-10,18H2.
What are the key properties of [1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine?
[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine has a molecular weight of 361.32 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105227890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).