5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

C9H18F3NO2 — CID 103857852

IUPAC5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESOCCCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c10-9(11,12)8-13(5-7-15)4-2-1-3-6-14/h14-15H,1-8H2
InChIKeyFCIYFXQOUCYWGH-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.01
Rot. Bonds8

About 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (PubChem CID 103857852) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
PubChem CID103857852
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESOCCCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c10-9(11,12)8-13(5-7-15)4-2-1-3-6-14/h14-15H,1-8H2
InChIKeyFCIYFXQOUCYWGH-UHFFFAOYSA-N
XLogP1.01
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.01
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 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (CID 103857852) is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The canonical SMILES for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is OCCCCCN(CCO)CC(F)(F)F.
What is the InChIKey of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The InChIKey is FCIYFXQOUCYWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c10-9(11,12)8-13(5-7-15)4-2-1-3-6-14/h14-15H,1-8H2.
What are the key properties of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol has a molecular weight of 229.24 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is sourced from PubChem (CID 103857852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).