N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

C5H8F3NO2 — CID 103616553

IUPACN-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCNC(=O)COCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9-4(10)2-11-3-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyFVRIGALXGCQXLG-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.31
Rot. Bonds3

About N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103616553) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103616553
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC NameN-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCNC(=O)COCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9-4(10)2-11-3-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyFVRIGALXGCQXLG-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-methoxy-N-methylacetamide
CID 14872190
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
2,2-difluoro-2-methoxy-N-methylacetamide
CID 57174562
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 57832481
2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide
CID 59964207
2-methoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 60637903
N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide
CID 62492523
N-(2,2-difluoroethyl)-2-methoxyacetamide
CID 79078959
2-fluoro-2-methoxy-N-methylacetamide
CID 88351651
N-(2-ethoxyethyl)-2,2-difluoroacetamide
CID 89219285

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103616553) is N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is FVRIGALXGCQXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-9-4(10)2-11-3-5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-methyl-2-(2,2,2-trifluoroethoxy)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 N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103616553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).