[5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine

C9H18F4N2O3S — CID 103477523

IUPAC[5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine
SMILESCS(=O)(=O)CCCC(COCC(F)(F)C(F)F)NN
InChIInChI=1S/C9H18F4N2O3S/c1-19(16,17)4-2-3-7(15-14)5-18-6-9(12,13)8(10)11/h7-8,15H,2-6,14H2,1H3
InChIKeyBCTPUGAUMGLBLX-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.56
Rot. Bonds10

About [5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine

[5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine (PubChem CID 103477523) has the molecular formula C9H18F4N2O3S and a molecular weight of 310.31 g/mol. Its IUPAC name is [5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine
PubChem CID103477523
Molecular FormulaC9H18F4N2O3S
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name[5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine
SMILESCS(=O)(=O)CCCC(COCC(F)(F)C(F)F)NN
InChIInChI=1S/C9H18F4N2O3S/c1-19(16,17)4-2-3-7(15-14)5-18-6-9(12,13)8(10)11/h7-8,15H,2-6,14H2,1H3
InChIKeyBCTPUGAUMGLBLX-UHFFFAOYSA-N
XLogP0.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.56
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine?
The IUPAC name of [5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine (CID 103477523) is [5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine.
What is the SMILES notation for [5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine?
The canonical SMILES for [5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine is CS(=O)(=O)CCCC(COCC(F)(F)C(F)F)NN.
What is the InChIKey of [5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine?
The InChIKey is BCTPUGAUMGLBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F4N2O3S/c1-19(16,17)4-2-3-7(15-14)5-18-6-9(12,13)8(10)11/h7-8,15H,2-6,14H2,1H3.
What are the key properties of [5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine?
[5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine has a molecular weight of 310.31 g/mol, XLogP of 0.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine is sourced from PubChem (CID 103477523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).