2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide

C7H13F3N2O2 — CID 171073994

IUPAC2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide
SMILESO=C(NCCCNCCO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)6(14)12-3-1-2-11-4-5-13/h11,13H,1-5H2,(H,12,14)
InChIKeyCPSLHPJFXVOVIN-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.36
Rot. Bonds6

About 2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide

2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide (PubChem CID 171073994) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide
PubChem CID171073994
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide
SMILESO=C(NCCCNCCO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)6(14)12-3-1-2-11-4-5-13/h11,13H,1-5H2,(H,12,14)
InChIKeyCPSLHPJFXVOVIN-UHFFFAOYSA-N
XLogP-0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
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 2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide (CID 171073994) is 2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide is O=C(NCCCNCCO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide?
The InChIKey is CPSLHPJFXVOVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c8-7(9,10)6(14)12-3-1-2-11-4-5-13/h11,13H,1-5H2,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide?
2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide has a molecular weight of 214.19 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(2-hydroxyethylamino)propyl]acetamide is sourced from PubChem (CID 171073994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).