2,2,2-trifluoro-N-prop-2-enylacetamide

C5H6F3NO — CID 558569

IUPAC2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-2-3-9-4(10)5(6,7)8/h2H,1,3H2,(H,9,10)
InChIKeyUFPBWCBCUAYIIW-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.85
Rot. Bonds2

About 2,2,2-trifluoro-N-prop-2-enylacetamide

2,2,2-trifluoro-N-prop-2-enylacetamide (PubChem CID 558569) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-prop-2-enylacetamide
PubChem CID558569
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-2-3-9-4(10)5(6,7)8/h2H,1,3H2,(H,9,10)
InChIKeyUFPBWCBCUAYIIW-UHFFFAOYSA-N
XLogP0.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.85
H-Bond Donors ≤ 51
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 2,2,2-trifluoro-N-prop-2-enylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-prop-2-enylacetamide (CID 558569) is 2,2,2-trifluoro-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-prop-2-enylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-prop-2-enylacetamide is C=CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-prop-2-enylacetamide?
The InChIKey is UFPBWCBCUAYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-2-3-9-4(10)5(6,7)8/h2H,1,3H2,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-prop-2-enylacetamide?
2,2,2-trifluoro-N-prop-2-enylacetamide has a molecular weight of 153.10 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-prop-2-enylacetamide is sourced from PubChem (CID 558569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).