2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol

C10H18F5NO3S — CID 86696865

IUPAC2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol
SMILESO=S(=O)(CCCNCCO)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NO3S/c11-9(12,10(13,14)15)3-1-7-20(18,19)8-2-4-16-5-6-17/h16-17H,1-8H2
InChIKeyYOMOCRDPQHEKFH-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.35
Rot. Bonds10

About 2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol

2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol (PubChem CID 86696865) has the molecular formula C10H18F5NO3S and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol
PubChem CID86696865
Molecular FormulaC10H18F5NO3S
Molecular Weight327.32 g/mol
Exact Mass327.09
IUPAC Name2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol
SMILESO=S(=O)(CCCNCCO)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NO3S/c11-9(12,10(13,14)15)3-1-7-20(18,19)8-2-4-16-5-6-17/h16-17H,1-8H2
InChIKeyYOMOCRDPQHEKFH-UHFFFAOYSA-N
XLogP1.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
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 2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol?
The IUPAC name of 2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol (CID 86696865) is 2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol.
What is the SMILES notation for 2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol?
The canonical SMILES for 2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol is O=S(=O)(CCCNCCO)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol?
The InChIKey is YOMOCRDPQHEKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F5NO3S/c11-9(12,10(13,14)15)3-1-7-20(18,19)8-2-4-16-5-6-17/h16-17H,1-8H2.
What are the key properties of 2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol?
2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol has a molecular weight of 327.32 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propylamino]ethanol is sourced from PubChem (CID 86696865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).