2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide

C5H8F3NO2 — CID 57161818

IUPAC2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(2-3-10)4(11)5(6,7)8/h10H,2-3H2,1H3
InChIKeyVTAULGOGEKXXHP-UHFFFAOYSA-N
MW171.12 g/mol
LogP-0.00
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide

2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 57161818) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID57161818
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(2-3-10)4(11)5(6,7)8/h10H,2-3H2,1H3
InChIKeyVTAULGOGEKXXHP-UHFFFAOYSA-N
XLogP-0.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide (CID 57161818) is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is VTAULGOGEKXXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-9(2-3-10)4(11)5(6,7)8/h10H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide?
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 171.12 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 57161818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).