[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

C11H14F3N3S — CID 102710391

IUPAC[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1cnccc1C(F)(F)F)C1CCCS1
InChIInChI=1S/C11H14F3N3S/c12-11(13,14)8-3-4-16-6-7(8)10(17-15)9-2-1-5-18-9/h3-4,6,9-10,17H,1-2,5,15H2
InChIKeyVICZIMOJGKXQAI-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.50
Rot. Bonds3

About [thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 102710391) has the molecular formula C11H14F3N3S and a molecular weight of 277.31 g/mol. Its IUPAC name is [thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
PubChem CID102710391
Molecular FormulaC11H14F3N3S
Molecular Weight277.31 g/mol
Exact Mass277.09
IUPAC Name[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1cnccc1C(F)(F)F)C1CCCS1
InChIInChI=1S/C11H14F3N3S/c12-11(13,14)8-3-4-16-6-7(8)10(17-15)9-2-1-5-18-9/h3-4,6,9-10,17H,1-2,5,15H2
InChIKeyVICZIMOJGKXQAI-UHFFFAOYSA-N
XLogP2.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[cycloheptyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710352
[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710499
[(2,2-dimethylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107195010
[(2,2-dimethylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107005897
[(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710467
3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine
CID 80622128
[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine
CID 107292378
[isoquinolin-4-yl(thian-2-yl)methyl]hydrazine
CID 105255789
N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741
(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708450
thiolan-2-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 80621510
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687

Frequently Asked Questions

What is the IUPAC name of [thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The IUPAC name of [thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (CID 102710391) is [thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The canonical SMILES for [thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is NNC(c1cnccc1C(F)(F)F)C1CCCS1.
What is the InChIKey of [thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The InChIKey is VICZIMOJGKXQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3S/c12-11(13,14)8-3-4-16-6-7(8)10(17-15)9-2-1-5-18-9/h3-4,6,9-10,17H,1-2,5,15H2.
What are the key properties of [thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine has a molecular weight of 277.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 102710391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).