2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide

C7H12F3NO3 — CID 62729173

IUPAC2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide
SMILESCOCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-13-4-5-14-3-2-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyXEUPTPNISCCXHI-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.33
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide

2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide (PubChem CID 62729173) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide
PubChem CID62729173
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide
SMILESCOCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-13-4-5-14-3-2-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyXEUPTPNISCCXHI-UHFFFAOYSA-N
XLogP0.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)trifluoroacetamide
CID 4104851
N-[2-(2-azidoethoxy)ethyl]-2,2,2-trifluoroacetamide
CID 57624365
2-Acetamidoethyl 2-fluoroacetate
CID 45254008
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)acetamide
CID 84454250
1,2-Bis(trifluoroacetylaminoethoxy)ethane
CID 102103757
2,2,2-trifluoro-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 14511495
2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 14511496
3-(2-Trifluoroacetamidoethoxy)propyne
CID 16742621
N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 37981198
2,2,2-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 56637024
N-(1-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
CID 57737704
8-Trifluoroacetamido-3,6-dioxa-1-octanol
CID 57757146

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide (CID 62729173) is 2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide is COCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The InChIKey is XEUPTPNISCCXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-13-4-5-14-3-2-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide has a molecular weight of 215.17 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide is sourced from PubChem (CID 62729173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).