3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H15F8NO2S — CID 86696826

IUPAC3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESO=S(=O)(CCCNCC(F)(F)F)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F8NO2S/c11-8(12,10(16,17)18)3-1-5-22(20,21)6-2-4-19-7-9(13,14)15/h19H,1-7H2
InChIKeyZLRIWVAXSRUXOZ-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.92
Rot. Bonds9

About 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 86696826) has the molecular formula C10H15F8NO2S and a molecular weight of 365.29 g/mol. Its IUPAC name is 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID86696826
Molecular FormulaC10H15F8NO2S
Molecular Weight365.29 g/mol
Exact Mass365.07
IUPAC Name3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESO=S(=O)(CCCNCC(F)(F)F)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F8NO2S/c11-8(12,10(16,17)18)3-1-5-22(20,21)6-2-4-19-7-9(13,14)15/h19H,1-7H2
InChIKeyZLRIWVAXSRUXOZ-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.92
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-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 86696826) is 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is O=S(=O)(CCCNCC(F)(F)F)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is ZLRIWVAXSRUXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F8NO2S/c11-8(12,10(16,17)18)3-1-5-22(20,21)6-2-4-19-7-9(13,14)15/h19H,1-7H2.
What are the key properties of 3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 365.29 g/mol, XLogP of 2.92, 9 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-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 86696826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).