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

C8H13F3N2O — CID 43089174

IUPACN-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESC=CCNC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-3-4-12-7(14)6(2)13-5-8(9,10)11/h3,6,13H,1,4-5H2,2H3,(H,12,14)
InChIKeyVQDUENXAYCDVKZ-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.83
Rot. Bonds5

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

N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 43089174) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID43089174
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESC=CCNC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-3-4-12-7(14)6(2)13-5-8(9,10)11/h3,6,13H,1,4-5H2,2H3,(H,12,14)
InChIKeyVQDUENXAYCDVKZ-UHFFFAOYSA-N
XLogP0.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.83
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)propanamide?
The IUPAC name of N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide (CID 43089174) is N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide is C=CCNC(=O)C(C)NCC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is VQDUENXAYCDVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-3-4-12-7(14)6(2)13-5-8(9,10)11/h3,6,13H,1,4-5H2,2H3,(H,12,14).
What are the key properties of N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide?
N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 210.20 g/mol, XLogP of 0.83, 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)propanamide is sourced from PubChem (CID 43089174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).