[1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine

C12H17FN2S — CID 105236768

IUPAC[1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine
SMILESC=C(C)CC(CSc1ccc(F)cc1)NN
InChIInChI=1S/C12H17FN2S/c1-9(2)7-11(15-14)8-16-12-5-3-10(13)4-6-12/h3-6,11,15H,1,7-8,14H2,2H3
InChIKeyKEYBDEJLOMFASB-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.72
Rot. Bonds6

About [1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine

[1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine (PubChem CID 105236768) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine
PubChem CID105236768
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC Name[1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine
SMILESC=C(C)CC(CSc1ccc(F)cc1)NN
InChIInChI=1S/C12H17FN2S/c1-9(2)7-11(15-14)8-16-12-5-3-10(13)4-6-12/h3-6,11,15H,1,7-8,14H2,2H3
InChIKeyKEYBDEJLOMFASB-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine
CID 105206774
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179136
1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-one
CID 79180159
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558
[1-(4-fluorophenyl)-5-methylhex-5-en-2-yl]hydrazine
CID 105198284
[2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine
CID 105236619
[1-(4-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105236753
[1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105236805
[1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105236653
1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine
CID 105236964
1-(4-fluorophenyl)sulfanyl-3-methylbut-3-en-2-one
CID 79189606

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine?
The IUPAC name of [1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine (CID 105236768) is [1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine.
What is the SMILES notation for [1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine?
The canonical SMILES for [1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine is C=C(C)CC(CSc1ccc(F)cc1)NN.
What is the InChIKey of [1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine?
The InChIKey is KEYBDEJLOMFASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S/c1-9(2)7-11(15-14)8-16-12-5-3-10(13)4-6-12/h3-6,11,15H,1,7-8,14H2,2H3.
What are the key properties of [1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine?
[1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine has a molecular weight of 240.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine is sourced from PubChem (CID 105236768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).