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

C8H13F3N2O3 — CID 21187761

IUPACN-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)N(CCO)CCNC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-6(15)13(4-5-14)3-2-12-7(16)8(9,10)11/h14H,2-5H2,1H3,(H,12,16)
InChIKeyYJYGBDOXIGJJBD-UHFFFAOYSA-N
MW242.20 g/mol
LogP-0.49
Rot. Bonds5

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

N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 21187761) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide
PubChem CID21187761
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC NameN-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)N(CCO)CCNC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-6(15)13(4-5-14)3-2-12-7(16)8(9,10)11/h14H,2-5H2,1H3,(H,12,16)
InChIKeyYJYGBDOXIGJJBD-UHFFFAOYSA-N
XLogP-0.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide (CID 21187761) is N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide is CC(=O)N(CCO)CCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is YJYGBDOXIGJJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-6(15)13(4-5-14)3-2-12-7(16)8(9,10)11/h14H,2-5H2,1H3,(H,12,16).
What are the key properties of N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 242.20 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21187761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).