N-[2-(trifluoromethoxy)ethyl]acetamide

C5H8F3NO2 — CID 58336265

IUPACN-[2-(trifluoromethoxy)ethyl]acetamide
SMILESCC(=O)NCCOC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-4(10)9-2-3-11-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeySQPMYONEYRGIGN-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.66
Rot. Bonds3

About N-[2-(trifluoromethoxy)ethyl]acetamide

N-[2-(trifluoromethoxy)ethyl]acetamide (PubChem CID 58336265) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)ethyl]acetamide
PubChem CID58336265
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC NameN-[2-(trifluoromethoxy)ethyl]acetamide
SMILESCC(=O)NCCOC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-4(10)9-2-3-11-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeySQPMYONEYRGIGN-UHFFFAOYSA-N
XLogP0.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.66
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

Ethyl 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
2,2,3,3,4,4,4-Heptafluoro-N-(2-methoxyethyl)butanamide
CID 3255117
N-(2-methoxyethyl)trifluoroacetamide
CID 4104851
N-(2-methoxyethyl)acetamide
CID 21525
N-[2-(2-azidoethoxy)ethyl]-2,2,2-trifluoroacetamide
CID 57624365
N-(2,2-Dimethoxy-ethyl)-2,2,2-trifluoro-acetamide
CID 59882303
2,2,2-trifluoro-N-[2-(vinyloxy)ethyl]acetamide
CID 129748984
Acetamide, N-methyl-N-(2-methoxyethyl)trifluoro-
CID 62728049
2-Acetamidoethyl 2-fluoroacetate
CID 45254008
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)acetamide
CID 84454250
N1-(2-methoxyethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585926
2,2,2-trifluoro-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 14511495

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)ethyl]acetamide?
The IUPAC name of N-[2-(trifluoromethoxy)ethyl]acetamide (CID 58336265) is N-[2-(trifluoromethoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(trifluoromethoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(trifluoromethoxy)ethyl]acetamide is CC(=O)NCCOC(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethoxy)ethyl]acetamide?
The InChIKey is SQPMYONEYRGIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-4(10)9-2-3-11-5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of N-[2-(trifluoromethoxy)ethyl]acetamide?
N-[2-(trifluoromethoxy)ethyl]acetamide has a molecular weight of 171.12 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)ethyl]acetamide is sourced from PubChem (CID 58336265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).