(1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine

C9H19F3N2S — CID 105226308

IUPAC(1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine
SMILESCC(C)(C)SCC(CCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2S/c1-8(2,3)15-6-7(14-13)4-5-9(10,11)12/h7,14H,4-6,13H2,1-3H3
InChIKeyBPUPLVNDCAQWKG-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.69
Rot. Bonds5

About (1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine

(1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine (PubChem CID 105226308) has the molecular formula C9H19F3N2S and a molecular weight of 244.33 g/mol. Its IUPAC name is (1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine.

Molecular Properties

Compound Name(1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine
PubChem CID105226308
Molecular FormulaC9H19F3N2S
Molecular Weight244.33 g/mol
Exact Mass244.12
IUPAC Name(1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine
SMILESCC(C)(C)SCC(CCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2S/c1-8(2,3)15-6-7(14-13)4-5-9(10,11)12/h7,14H,4-6,13H2,1-3H3
InChIKeyBPUPLVNDCAQWKG-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine?
The IUPAC name of (1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine (CID 105226308) is (1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine.
What is the SMILES notation for (1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine?
The canonical SMILES for (1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine is CC(C)(C)SCC(CCC(F)(F)F)NN.
What is the InChIKey of (1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine?
The InChIKey is BPUPLVNDCAQWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2S/c1-8(2,3)15-6-7(14-13)4-5-9(10,11)12/h7,14H,4-6,13H2,1-3H3.
What are the key properties of (1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine?
(1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine has a molecular weight of 244.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine is sourced from PubChem (CID 105226308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).