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

C11H20F5NO3S — CID 86696819

IUPACN-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
SMILESCOCCNCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5NO3S/c1-20-7-6-17-5-3-9-21(18,19)8-2-4-10(12,13)11(14,15)16/h17H,2-9H2,1H3
InChIKeyVSPFQTGPBBEOBQ-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.01
Rot. Bonds11

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

N-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine (PubChem CID 86696819) has the molecular formula C11H20F5NO3S and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
PubChem CID86696819
Molecular FormulaC11H20F5NO3S
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC NameN-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
SMILESCOCCNCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5NO3S/c1-20-7-6-17-5-3-9-21(18,19)8-2-4-10(12,13)11(14,15)16/h17H,2-9H2,1H3
InChIKeyVSPFQTGPBBEOBQ-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine (CID 86696819) is N-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine is COCCNCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
The InChIKey is VSPFQTGPBBEOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F5NO3S/c1-20-7-6-17-5-3-9-21(18,19)8-2-4-10(12,13)11(14,15)16/h17H,2-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
N-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine has a molecular weight of 341.34 g/mol, XLogP of 2.01, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine is sourced from PubChem (CID 86696819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).