N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

C7H12F3NO2 — CID 64591266

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-6(13)11(3-4-12)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyJPUVEROFGAXHLV-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.78
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 64591266) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID64591266
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-6(13)11(3-4-12)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyJPUVEROFGAXHLV-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 64591266) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is CCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JPUVEROFGAXHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-2-6(13)11(3-4-12)5-7(8,9)10/h12H,2-5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 199.17 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 64591266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).