N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide

C7H8F3NO2 — CID 126997827

IUPACN-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide
SMILESO=C(CNC(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)6(13)11-3-5(12)4-1-2-4/h4H,1-3H2,(H,11,13)
InChIKeyHAEFEJYAJKMFIC-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.64
Rot. Bonds3

About N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide

N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide (PubChem CID 126997827) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide
PubChem CID126997827
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC NameN-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide
SMILESO=C(CNC(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)6(13)11-3-5(12)4-1-2-4/h4H,1-3H2,(H,11,13)
InChIKeyHAEFEJYAJKMFIC-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide (CID 126997827) is N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide is O=C(CNC(=O)C(F)(F)F)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide?
The InChIKey is HAEFEJYAJKMFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)6(13)11-3-5(12)4-1-2-4/h4H,1-3H2,(H,11,13).
What are the key properties of N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide?
N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide has a molecular weight of 195.14 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 126997827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).