1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine

C10H13FN2S — CID 105236361

IUPAC1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine
SMILESC=CC(CSc1cccc(F)c1)NN
InChIInChI=1S/C10H13FN2S/c1-2-9(13-12)7-14-10-5-3-4-8(11)6-10/h2-6,9,13H,1,7,12H2
InChIKeySOTLUYCCQYLRDJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.94
Rot. Bonds5

About 1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine

1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine (PubChem CID 105236361) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine
PubChem CID105236361
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine
SMILESC=CC(CSc1cccc(F)c1)NN
InChIInChI=1S/C10H13FN2S/c1-2-9(13-12)7-14-10-5-3-4-8(11)6-10/h2-6,9,13H,1,7,12H2
InChIKeySOTLUYCCQYLRDJ-UHFFFAOYSA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.94
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-methylphenyl)sulfanylbut-3-en-2-ylhydrazine
CID 105237093
[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105236551
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-fluoro-3-prop-2-enylsulfanylbenzene
CID 91656198
[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
CID 105236538
[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105236374
1-(3-fluorophenyl)sulfanylnonan-2-ylhydrazine
CID 105236394
[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
CID 105236399
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine
CID 66070643
[1-(3-fluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
CID 105236697

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine?
The IUPAC name of 1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine (CID 105236361) is 1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine?
The canonical SMILES for 1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine is C=CC(CSc1cccc(F)c1)NN.
What is the InChIKey of 1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine?
The InChIKey is SOTLUYCCQYLRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-2-9(13-12)7-14-10-5-3-4-8(11)6-10/h2-6,9,13H,1,7,12H2.
What are the key properties of 1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine?
1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine has a molecular weight of 212.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine is sourced from PubChem (CID 105236361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).