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

C7H10F3NO — CID 22975872

IUPAC3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-11(2)6(12)5-7(8,9)10/h3H,1,4-5H2,2H3
InChIKeyWVJSBRIPXAEICA-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.58
Rot. Bonds3

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

3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide (PubChem CID 22975872) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide
PubChem CID22975872
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-11(2)6(12)5-7(8,9)10/h3H,1,4-5H2,2H3
InChIKeyWVJSBRIPXAEICA-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide (CID 22975872) is 3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide is C=CCN(C)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide?
The InChIKey is WVJSBRIPXAEICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-3-4-11(2)6(12)5-7(8,9)10/h3H,1,4-5H2,2H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide?
3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide has a molecular weight of 181.16 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 22975872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).