[5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine

C10H19F3N2S2 — CID 105259546

IUPAC[5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine
SMILESCC1SCCSC1C(CCCC(F)(F)F)NN
InChIInChI=1S/C10H19F3N2S2/c1-7-9(17-6-5-16-7)8(15-14)3-2-4-10(11,12)13/h7-9,15H,2-6,14H2,1H3
InChIKeyIWPCNFWAGQUFAU-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.79
Rot. Bonds5

About [5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine

[5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine (PubChem CID 105259546) has the molecular formula C10H19F3N2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is [5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine.

Molecular Properties

Compound Name[5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine
PubChem CID105259546
Molecular FormulaC10H19F3N2S2
Molecular Weight288.40 g/mol
Exact Mass288.09
IUPAC Name[5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine
SMILESCC1SCCSC1C(CCCC(F)(F)F)NN
InChIInChI=1S/C10H19F3N2S2/c1-7-9(17-6-5-16-7)8(15-14)3-2-4-10(11,12)13/h7-9,15H,2-6,14H2,1H3
InChIKeyIWPCNFWAGQUFAU-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.79
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

5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine
CID 115517593
1-(3-methyl-1,4-dithian-2-yl)octylhydrazine
CID 105259521
(1-cyclopentyl-5,5,5-trifluoropentyl)hydrazine
CID 105204331
1-(3-ethyl-1,4-dithian-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517599
[5,5,5-trifluoro-1-(2-methyloxolan-3-yl)pentyl]hydrazine
CID 105328910
1-(3-ethyl-1,4-dithian-2-yl)nonylhydrazine
CID 105259853
[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259734
N-ethyl-5,5,5-trifluoro-1-(thiolan-2-yl)pentan-1-amine
CID 115517497
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hexan-1-amine
CID 115387051
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259751
N-ethyl-5,5,5-trifluoro-1-(thian-2-yl)pentan-1-amine
CID 115517503
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569

Frequently Asked Questions

What is the IUPAC name of [5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine?
The IUPAC name of [5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine (CID 105259546) is [5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine.
What is the SMILES notation for [5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine?
The canonical SMILES for [5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine is CC1SCCSC1C(CCCC(F)(F)F)NN.
What is the InChIKey of [5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine?
The InChIKey is IWPCNFWAGQUFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S2/c1-7-9(17-6-5-16-7)8(15-14)3-2-4-10(11,12)13/h7-9,15H,2-6,14H2,1H3.
What are the key properties of [5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine?
[5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine has a molecular weight of 288.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine is sourced from PubChem (CID 105259546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).