[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine

C13H21FN2S — CID 105236088

IUPAC[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
SMILESCCC(CC)C(CSc1ccccc1F)NN
InChIInChI=1S/C13H21FN2S/c1-3-10(4-2)12(16-15)9-17-13-8-6-5-7-11(13)14/h5-8,10,12,16H,3-4,9,15H2,1-2H3
InChIKeySZJFVMCJGNILFK-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.19
Rot. Bonds7

About [3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine

[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine (PubChem CID 105236088) has the molecular formula C13H21FN2S and a molecular weight of 256.39 g/mol. Its IUPAC name is [3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
PubChem CID105236088
Molecular FormulaC13H21FN2S
Molecular Weight256.39 g/mol
Exact Mass256.14
IUPAC Name[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
SMILESCCC(CC)C(CSc1ccccc1F)NN
InChIInChI=1S/C13H21FN2S/c1-3-10(4-2)12(16-15)9-17-13-8-6-5-7-11(13)14/h5-8,10,12,16H,3-4,9,15H2,1-2H3
InChIKeySZJFVMCJGNILFK-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.19
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-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine
CID 105236110
[1-(2,6-difluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105323976
[5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
CID 105236139
[1-(2-fluorophenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
CID 105236122
1-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 64621833
[2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105236101
[1-(2-chloro-6-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105215890
[1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236186
[2-(2-fluorophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105236220
N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine
CID 66051551
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
CID 79575022
N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
CID 66051552

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine?
The IUPAC name of [3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine (CID 105236088) is [3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine.
What is the SMILES notation for [3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine?
The canonical SMILES for [3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine is CCC(CC)C(CSc1ccccc1F)NN.
What is the InChIKey of [3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine?
The InChIKey is SZJFVMCJGNILFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2S/c1-3-10(4-2)12(16-15)9-17-13-8-6-5-7-11(13)14/h5-8,10,12,16H,3-4,9,15H2,1-2H3.
What are the key properties of [3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine?
[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine has a molecular weight of 256.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine is sourced from PubChem (CID 105236088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).