2-methoxy-N-(2,2,2-trifluoroethyl)acetamide

C5H8F3NO2 — CID 60637903

IUPAC2-methoxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCC(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-11-2-4(10)9-3-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyFGTAOFGADVAXDO-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.31
Rot. Bonds3

About 2-methoxy-N-(2,2,2-trifluoroethyl)acetamide

2-methoxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60637903) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2-methoxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60637903
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2-methoxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCC(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-11-2-4(10)9-3-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyFGTAOFGADVAXDO-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 4104851
N-(2-hydroxyethyl)-2-methoxyacetamide
CID 12497724
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)acetamide
CID 84454250
N-butyl-2-methoxyacetamide
CID 13708111
2-Methoxy-N-(propan-2-yl)acetamide
CID 19353620
N-(2-Aminoethyl)-2-methoxyacetamide
CID 13028017
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
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
N-(1-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
CID 57737704

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-methoxy-N-(2,2,2-trifluoroethyl)acetamide (CID 60637903) is 2-methoxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-methoxy-N-(2,2,2-trifluoroethyl)acetamide is COCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FGTAOFGADVAXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-11-2-4(10)9-3-5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of 2-methoxy-N-(2,2,2-trifluoroethyl)acetamide?
2-methoxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 171.12 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60637903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).