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

C10H17F6NO2S — CID 86696821

IUPACN-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
SMILESO=S(=O)(CCCNCCF)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F6NO2S/c11-4-6-17-5-2-8-20(18,19)7-1-3-9(12,13)10(14,15)16/h17H,1-8H2
InChIKeyWRIVOBZDONFVDS-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.33
Rot. Bonds10

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

N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine (PubChem CID 86696821) has the molecular formula C10H17F6NO2S and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
PubChem CID86696821
Molecular FormulaC10H17F6NO2S
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC NameN-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
SMILESO=S(=O)(CCCNCCF)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F6NO2S/c11-4-6-17-5-2-8-20(18,19)7-1-3-9(12,13)10(14,15)16/h17H,1-8H2
InChIKeyWRIVOBZDONFVDS-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.33
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 N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine (CID 86696821) is N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine is O=S(=O)(CCCNCCF)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
The InChIKey is WRIVOBZDONFVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6NO2S/c11-4-6-17-5-2-8-20(18,19)7-1-3-9(12,13)10(14,15)16/h17H,1-8H2.
What are the key properties of N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine has a molecular weight of 329.31 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine is sourced from PubChem (CID 86696821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).