N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide

C7H11F3N2O — CID 78914751

IUPACN-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC=CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-2-3-12-6(13)4-11-5-7(8,9)10/h2,11H,1,3-5H2,(H,12,13)
InChIKeyCTHLXQYUQTZGKI-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.44
Rot. Bonds5

About N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide

N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914751) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914751
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC=CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-2-3-12-6(13)4-11-5-7(8,9)10/h2,11H,1,3-5H2,(H,12,13)
InChIKeyCTHLXQYUQTZGKI-UHFFFAOYSA-N
XLogP0.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914751) is N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide is C=CCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is CTHLXQYUQTZGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-2-3-12-6(13)4-11-5-7(8,9)10/h2,11H,1,3-5H2,(H,12,13).
What are the key properties of N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 196.17 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).