N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide

C9H17F3N2O2 — CID 171073943

IUPACN-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESCCN(CCO)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-14(6-7-15)5-3-4-13-8(16)9(10,11)12/h15H,2-7H2,1H3,(H,13,16)
InChIKeyZZWFUEVGSXBJPR-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.37
Rot. Bonds7

About N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide

N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide (PubChem CID 171073943) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
PubChem CID171073943
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESCCN(CCO)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-14(6-7-15)5-3-4-13-8(16)9(10,11)12/h15H,2-7H2,1H3,(H,13,16)
InChIKeyZZWFUEVGSXBJPR-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.37
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 N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide (CID 171073943) is N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide is CCN(CCO)CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZZWFUEVGSXBJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-2-14(6-7-15)5-3-4-13-8(16)9(10,11)12/h15H,2-7H2,1H3,(H,13,16).
What are the key properties of N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide?
N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 242.24 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 171073943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).