2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide

C5H8F3NO2 — CID 86752689

IUPAC2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide
SMILESCC(O)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(10)9(2)4(11)5(6,7)8/h3,10H,1-2H3
InChIKeyIAFHPXFQWUWGQE-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.35
Rot. Bonds1

About 2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide

2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide (PubChem CID 86752689) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide
PubChem CID86752689
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide
SMILESCC(O)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(10)9(2)4(11)5(6,7)8/h3,10H,1-2H3
InChIKeyIAFHPXFQWUWGQE-UHFFFAOYSA-N
XLogP0.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-trifluoroacetyl ethanoloamine
CID 57161818
N-Ethyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 60999971
ethanol-N,N'-dimethyl formamide
CID 87075040
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 61424901
N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 61448362
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 64590692
Acetamide, trifluoro-N-trifluoroacetyl-N-(2-hydroxyethyl)-
CID 91712836
2,2,3,3,3-Pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide
CID 91730500
N-Ethyl-2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)propanamide
CID 91733399
2,2,2-trifluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 1925938
4-(N-Methyl-trifluoroacetamido)-1-butanol
CID 10512190
N-(2,2,2-trifluoroethyl)-N-methyl-hydroxyacetic acid amide
CID 13090851

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide (CID 86752689) is 2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide is CC(O)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide?
The InChIKey is IAFHPXFQWUWGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-3(10)9(2)4(11)5(6,7)8/h3,10H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide?
2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide has a molecular weight of 171.12 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 86752689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).