[(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

C12H16F3N3O2S — CID 102710467

IUPAC[(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1cnccc1C(F)(F)F)C1CCCCS1(=O)=O
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)9-4-5-17-7-8(9)11(18-16)10-3-1-2-6-21(10,19)20/h4-5,7,10-11,18H,1-3,6,16H2
InChIKeyRLAKVZOZEKTGNV-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.57
Rot. Bonds3

About [(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

[(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 102710467) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is [(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
PubChem CID102710467
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name[(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1cnccc1C(F)(F)F)C1CCCCS1(=O)=O
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)9-4-5-17-7-8(9)11(18-16)10-3-1-2-6-21(10,19)20/h4-5,7,10-11,18H,1-3,6,16H2
InChIKeyRLAKVZOZEKTGNV-UHFFFAOYSA-N
XLogP1.57
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
[(2,2-dimethylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107195010
[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710391
[(1,1-dioxothian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787272
[(2,2-dimethylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107005897
[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710499
(1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 115795998
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687
(1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707884
[(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105305124
[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105300920
N-[(2,2-dimethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 107191602

Frequently Asked Questions

What is the IUPAC name of [(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The IUPAC name of [(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (CID 102710467) is [(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The canonical SMILES for [(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is NNC(c1cnccc1C(F)(F)F)C1CCCCS1(=O)=O.
What is the InChIKey of [(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The InChIKey is RLAKVZOZEKTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c13-12(14,15)9-4-5-17-7-8(9)11(18-16)10-3-1-2-6-21(10,19)20/h4-5,7,10-11,18H,1-3,6,16H2.
What are the key properties of [(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
[(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine has a molecular weight of 323.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 102710467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).