2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide

C8H14F3NO2 — CID 81340409

IUPAC2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide
SMILESCCC(CC)C(=O)NOCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-6(4-2)7(13)12-14-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyYVFRQGFOTNAECK-UHFFFAOYSA-N
MW213.20 g/mol
LogP2.03
Rot. Bonds5

About 2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide

2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 81340409) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide
PubChem CID81340409
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide
SMILESCCC(CC)C(=O)NOCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-6(4-2)7(13)12-14-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyYVFRQGFOTNAECK-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
CID 104903880
N-(2-amino-2-oxoethoxy)-2-ethylbutanamide
CID 112550828
1-methyl-3-(2,2,2-trifluoroethoxy)urea
CID 115704057
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide
CID 114274918
3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide
CID 82721459
3-(2-ethylbutanoylamino)oxy-3-oxopropanoic acid
CID 53423618
5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
CID 82722190
2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
CID 82722618
2,2,2-trifluoroethyl (2S,3S)-2-amino-3-methylpentanoate
CID 15170730
2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid
CID 103309195
1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide
CID 81339751
N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide
CID 82722236

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of 2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide (CID 81340409) is 2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for 2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for 2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide is CCC(CC)C(=O)NOCC(F)(F)F.
What is the InChIKey of 2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is YVFRQGFOTNAECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-6(4-2)7(13)12-14-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide?
2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 213.20 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 81340409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).