2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide

C7H11F3N2O — CID 79797759

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-3-4-12-5(13)6(2,11)7(8,9)10/h3H,1,4,11H2,2H3,(H,12,13)
InChIKeyWOXIVOJXIBIGFO-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide

2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide (PubChem CID 79797759) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide
PubChem CID79797759
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-3-4-12-5(13)6(2,11)7(8,9)10/h3H,1,4,11H2,2H3,(H,12,13)
InChIKeyWOXIVOJXIBIGFO-UHFFFAOYSA-N
XLogP0.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.57
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 2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide (CID 79797759) is 2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is WOXIVOJXIBIGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-3-4-12-5(13)6(2,11)7(8,9)10/h3H,1,4,11H2,2H3,(H,12,13).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 196.17 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 79797759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).