2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide

C8H14F3NO2 — CID 79039210

IUPAC2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide
SMILESCCOCC(=O)NCCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-14-6-7(13)12-5-3-4-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyPWCPZVHIBQTBBQ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.48
Rot. Bonds6

About 2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide

2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide (PubChem CID 79039210) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide
PubChem CID79039210
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide
SMILESCCOCC(=O)NCCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-14-6-7(13)12-5-3-4-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyPWCPZVHIBQTBBQ-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-Butyl-2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy)propanamide
CID 71673064
2-Methyl-6-(trifluoromethyl)morpholin-3-one
CID 73994585
2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
CID 10586295
N-butyl-2-methoxyacetamide
CID 13708111
N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887799
2-(1,1-difluoropropoxy)-N-ethyl-2,2-difluoroacetamide
CID 23379718
N-(2-aminoethyl)-2,2-difluoro-2-propoxyacetamide
CID 23379722
N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 37981198
[1-Oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate
CID 57139505
[1-Oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl] acetate
CID 57158782
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 57832481
2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide
CID 59157492

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide?
The IUPAC name of 2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide (CID 79039210) is 2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide is CCOCC(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide?
The InChIKey is PWCPZVHIBQTBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-2-14-6-7(13)12-5-3-4-8(9,10)11/h2-6H2,1H3,(H,12,13).
What are the key properties of 2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide?
2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide 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 2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide is sourced from PubChem (CID 79039210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).