2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide

C12H15F3N2O2 — CID 22769513

IUPAC2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
SMILESO=C(NCCNCC(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)11(19)17-7-6-16-8-10(18)9-4-2-1-3-5-9/h1-5,10,16,18H,6-8H2,(H,17,19)
InChIKeyHDMYNVGTNPIXEL-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.99
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide

2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide (PubChem CID 22769513) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
PubChem CID22769513
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
SMILESO=C(NCCNCC(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)11(19)17-7-6-16-8-10(18)9-4-2-1-3-5-9/h1-5,10,16,18H,6-8H2,(H,17,19)
InChIKeyHDMYNVGTNPIXEL-UHFFFAOYSA-N
XLogP0.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.99
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-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide (CID 22769513) is 2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide is O=C(NCCNCC(O)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide?
The InChIKey is HDMYNVGTNPIXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)11(19)17-7-6-16-8-10(18)9-4-2-1-3-5-9/h1-5,10,16,18H,6-8H2,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 0.99, 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-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide is sourced from PubChem (CID 22769513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).