N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

C8H14F3NO2 — CID 79192046

IUPACN-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C8H14F3NO2/c1-2-12(6-8(9,10)11)7(14)4-3-5-13/h13H,2-6H2,1H3
InChIKeyBTEKHMZVPGLMLF-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.17
Rot. Bonds5

About N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79192046) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79192046
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC NameN-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C8H14F3NO2/c1-2-12(6-8(9,10)11)7(14)4-3-5-13/h13H,2-6H2,1H3
InChIKeyBTEKHMZVPGLMLF-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butanamide, 4-hydroxy-N-(2-hydroxyethyl)-N-methyl-
CID 106524
4-(N-Methyl-trifluoroacetamido)-1-butanol
CID 10512190
N-(2-fluorocyclopropyl)-4-hydroxy-N-propylbutanamide
CID 58375868
N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
CID 87922265
2,2,2-trifluoro-N-(1-hydroxybutyl)-N-methylacetamide
CID 88174553
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide
CID 91227751
(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543133
(2R)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543379
2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide
CID 44521286
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 64590916
N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butanamide
CID 65710972
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-methylbutanamide
CID 65710973

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (CID 79192046) is N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is CCN(CC(F)(F)F)C(=O)CCCO.
What is the InChIKey of N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is BTEKHMZVPGLMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-2-12(6-8(9,10)11)7(14)4-3-5-13/h13H,2-6H2,1H3.
What are the key properties of N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 213.20 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79192046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).