3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine

C11H20F5NO2S — CID 88547148

IUPAC3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine
SMILESCCCNCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5NO2S/c1-2-6-17-7-4-9-20(18,19)8-3-5-10(12,13)11(14,15)16/h17H,2-9H2,1H3
InChIKeyGNXRHYYMNROXTD-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.77
Rot. Bonds10

About 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine

3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine (PubChem CID 88547148) has the molecular formula C11H20F5NO2S and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine
PubChem CID88547148
Molecular FormulaC11H20F5NO2S
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine
SMILESCCCNCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5NO2S/c1-2-6-17-7-4-9-20(18,19)8-3-5-10(12,13)11(14,15)16/h17H,2-9H2,1H3
InChIKeyGNXRHYYMNROXTD-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine (CID 88547148) is 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine is CCCNCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine?
The InChIKey is GNXRHYYMNROXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F5NO2S/c1-2-6-17-7-4-9-20(18,19)8-3-5-10(12,13)11(14,15)16/h17H,2-9H2,1H3.
What are the key properties of 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine?
3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine has a molecular weight of 325.34 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine is sourced from PubChem (CID 88547148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).