2,2,2-trifluoro-N-prop-1-enylacetamide

C5H6F3NO — CID 162615523

IUPAC2,2,2-trifluoro-N-prop-1-enylacetamide
SMILESCC=CNC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-2-3-9-4(10)5(6,7)8/h2-3H,1H3,(H,9,10)
InChIKeySXZSIXDQLJPEEE-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.20
Rot. Bonds1

About 2,2,2-trifluoro-N-prop-1-enylacetamide

2,2,2-trifluoro-N-prop-1-enylacetamide (PubChem CID 162615523) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-prop-1-enylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-prop-1-enylacetamide
PubChem CID162615523
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name2,2,2-trifluoro-N-prop-1-enylacetamide
SMILESCC=CNC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-2-3-9-4(10)5(6,7)8/h2-3H,1H3,(H,9,10)
InChIKeySXZSIXDQLJPEEE-UHFFFAOYSA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-prop-1-enylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-prop-1-enylacetamide (CID 162615523) is 2,2,2-trifluoro-N-prop-1-enylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-prop-1-enylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-prop-1-enylacetamide is CC=CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-prop-1-enylacetamide?
The InChIKey is SXZSIXDQLJPEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-2-3-9-4(10)5(6,7)8/h2-3H,1H3,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-prop-1-enylacetamide?
2,2,2-trifluoro-N-prop-1-enylacetamide has a molecular weight of 153.10 g/mol, XLogP of 1.20, 1 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-1-enylacetamide is sourced from PubChem (CID 162615523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).