N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide

C8H14F3NO2 — CID 130756999

IUPACN-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
SMILESCCOCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-14-6-4-3-5-12-7(13)8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyTUGNHWHZQJXYJW-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.48
Rot. Bonds6

About N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide

N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide (PubChem CID 130756999) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
PubChem CID130756999
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC NameN-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
SMILESCCOCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-14-6-4-3-5-12-7(13)8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyTUGNHWHZQJXYJW-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
2,2,2-tribromo-N-(3-ethoxypropyl)acetamide
CID 20741094
oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium
CID 11668829
diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate
CID 10711824
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]butyl carbonate
CID 152610717
N-(5-ethoxypentyl)propanamide
CID 91349564
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide (CID 130756999) is N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide is CCOCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide?
The InChIKey is TUGNHWHZQJXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-2-14-6-4-3-5-12-7(13)8(9,10)11/h2-6H2,1H3,(H,12,13).
What are the key properties of N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide?
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide has a molecular weight of 213.20 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130756999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).