2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol

C9H19F3N2O — CID 107478906

IUPAC2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESNCCCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c10-9(11,12)8-14(6-7-15)5-3-1-2-4-13/h15H,1-8,13H2
InChIKeyRTUFYOQZHNOPNT-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.97
Rot. Bonds8

About 2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol

2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478906) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478906
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESNCCCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c10-9(11,12)8-14(6-7-15)5-3-1-2-4-13/h15H,1-8,13H2
InChIKeyRTUFYOQZHNOPNT-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol (CID 107478906) is 2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol is NCCCCCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is RTUFYOQZHNOPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c10-9(11,12)8-14(6-7-15)5-3-1-2-4-13/h15H,1-8,13H2.
What are the key properties of 2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 228.26 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-aminopentyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).