[1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine

C13H20F2N2S — CID 105226612

IUPAC[1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
SMILESCC(C)(C)SCC(Cc1c(F)cccc1F)NN
InChIInChI=1S/C13H20F2N2S/c1-13(2,3)18-8-9(17-16)7-10-11(14)5-4-6-12(10)15/h4-6,9,17H,7-8,16H2,1-3H3
InChIKeyNWGGQSSCMXBVMK-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.87
Rot. Bonds5

About [1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine

[1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine (PubChem CID 105226612) has the molecular formula C13H20F2N2S and a molecular weight of 274.38 g/mol. Its IUPAC name is [1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
PubChem CID105226612
Molecular FormulaC13H20F2N2S
Molecular Weight274.38 g/mol
Exact Mass274.13
IUPAC Name[1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
SMILESCC(C)(C)SCC(Cc1c(F)cccc1F)NN
InChIInChI=1S/C13H20F2N2S/c1-13(2,3)18-8-9(17-16)7-10-11(14)5-4-6-12(10)15/h4-6,9,17H,7-8,16H2,1-3H3
InChIKeyNWGGQSSCMXBVMK-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.87
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-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105226349
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
[1-(2,6-difluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206168
[1-(2,6-difluorophenyl)-4,6-dimethylheptan-2-yl]hydrazine
CID 114201921
(1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-yl)hydrazine
CID 105226579
[1-(2,6-difluorophenyl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 105323657
[1-(2,6-difluorophenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198434
[5-chloro-1-(2,6-difluorophenyl)pentan-2-yl]hydrazine
CID 105235804
[1-cyclopropyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105254222
[1-(2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
CID 105210157
[1-(2-bromo-3-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105327024
[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine
CID 105226468

Frequently Asked Questions

What is the IUPAC name of [1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine (CID 105226612) is [1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine is CC(C)(C)SCC(Cc1c(F)cccc1F)NN.
What is the InChIKey of [1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine?
The InChIKey is NWGGQSSCMXBVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2S/c1-13(2,3)18-8-9(17-16)7-10-11(14)5-4-6-12(10)15/h4-6,9,17H,7-8,16H2,1-3H3.
What are the key properties of [1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine?
[1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine has a molecular weight of 274.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105226612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).