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

C7H10F3NO — CID 88728033

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

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

N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 88728033) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID88728033
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC NameN-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCN(CC(F)(F)F)C(C)=O
InChIInChI=1S/C7H10F3NO/c1-3-4-11(6(2)12)5-7(8,9)10/h3H,1,4-5H2,2H3
InChIKeyXQCGMCWSUYHSGN-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 N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide (CID 88728033) is N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide is C=CCN(CC(F)(F)F)C(C)=O.
What is the InChIKey of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XQCGMCWSUYHSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-3-4-11(6(2)12)5-7(8,9)10/h3H,1,4-5H2,2H3.
What are the key properties of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide?
N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide 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 N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 88728033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).