1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

C8H11F3N2O2 — CID 71785424

IUPAC1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O2/c1-5(14)13-2-6(3-13)7(15)12-4-8(9,10)11/h6H,2-4H2,1H3,(H,12,15)
InChIKeyMYYKVYDZYRIQQL-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.14
Rot. Bonds2

About 1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (PubChem CID 71785424) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
PubChem CID71785424
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O2/c1-5(14)13-2-6(3-13)7(15)12-4-8(9,10)11/h6H,2-4H2,1H3,(H,12,15)
InChIKeyMYYKVYDZYRIQQL-UHFFFAOYSA-N
XLogP0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (CID 71785424) is 1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The InChIKey is MYYKVYDZYRIQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-5(14)13-2-6(3-13)7(15)12-4-8(9,10)11/h6H,2-4H2,1H3,(H,12,15).
What are the key properties of 1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide has a molecular weight of 224.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).