(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine

C6H13F3N2S — CID 105213738

IUPAC(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine
SMILESCSCC(CCC(F)(F)F)NN
InChIInChI=1S/C6H13F3N2S/c1-12-4-5(11-10)2-3-6(7,8)9/h5,11H,2-4,10H2,1H3
InChIKeyHMBDSWDTEMJSOO-UHFFFAOYSA-N
MW202.24 g/mol
LogP1.52
Rot. Bonds5

About (5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine

(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine (PubChem CID 105213738) has the molecular formula C6H13F3N2S and a molecular weight of 202.24 g/mol. Its IUPAC name is (5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine.

Molecular Properties

Compound Name(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine
PubChem CID105213738
Molecular FormulaC6H13F3N2S
Molecular Weight202.24 g/mol
Exact Mass202.08
IUPAC Name(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine
SMILESCSCC(CCC(F)(F)F)NN
InChIInChI=1S/C6H13F3N2S/c1-12-4-5(11-10)2-3-6(7,8)9/h5,11H,2-4,10H2,1H3
InChIKeyHMBDSWDTEMJSOO-UHFFFAOYSA-N
XLogP1.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 51.52
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

1,1,1,6,6,6-hexafluorohexan-3-ylhydrazine
CID 105205847
(1,1,1-trifluoro-6,6-dimethylheptan-4-yl)hydrazine
CID 105220163
(5-methyl-1-methylsulfanylhexan-2-yl)hydrazine
CID 105213733
[6,6,6-trifluoro-1-(2-methylpropylsulfanyl)hexan-2-yl]hydrazine
CID 105226769
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567433
(1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine
CID 105226501
8,8,8-trifluorooctan-4-ylhydrazine
CID 105202106
(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine
CID 105248920
(8,8,8-trifluoro-2-methyloctan-4-yl)hydrazine
CID 105198922
[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248876
[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine
CID 105211232
1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65128350

Frequently Asked Questions

What is the IUPAC name of (5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine?
The IUPAC name of (5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine (CID 105213738) is (5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine.
What is the SMILES notation for (5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine?
The canonical SMILES for (5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine is CSCC(CCC(F)(F)F)NN.
What is the InChIKey of (5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine?
The InChIKey is HMBDSWDTEMJSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2S/c1-12-4-5(11-10)2-3-6(7,8)9/h5,11H,2-4,10H2,1H3.
What are the key properties of (5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine?
(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine has a molecular weight of 202.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine is sourced from PubChem (CID 105213738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).