N-ethenyl-2,2,2-trifluoroacetamide

C4H4F3NO — CID 11378531

IUPACN-ethenyl-2,2,2-trifluoroacetamide
SMILESC=CNC(=O)C(F)(F)F
InChIInChI=1S/C4H4F3NO/c1-2-8-3(9)4(5,6)7/h2H,1H2,(H,8,9)
InChIKeyUOXMJKDGJMTPSI-UHFFFAOYSA-N
MW139.08 g/mol
LogP0.81
Rot. Bonds1

About N-ethenyl-2,2,2-trifluoroacetamide

N-ethenyl-2,2,2-trifluoroacetamide (PubChem CID 11378531) has the molecular formula C4H4F3NO and a molecular weight of 139.08 g/mol. Its IUPAC name is N-ethenyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-ethenyl-2,2,2-trifluoroacetamide
PubChem CID11378531
Molecular FormulaC4H4F3NO
Molecular Weight139.08 g/mol
Exact Mass139.02
IUPAC NameN-ethenyl-2,2,2-trifluoroacetamide
SMILESC=CNC(=O)C(F)(F)F
InChIInChI=1S/C4H4F3NO/c1-2-8-3(9)4(5,6)7/h2H,1H2,(H,8,9)
InChIKeyUOXMJKDGJMTPSI-UHFFFAOYSA-N
XLogP0.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-ethenyl-2,2,2-trifluoroacetamide (CID 11378531) is N-ethenyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-ethenyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-ethenyl-2,2,2-trifluoroacetamide is C=CNC(=O)C(F)(F)F.
What is the InChIKey of N-ethenyl-2,2,2-trifluoroacetamide?
The InChIKey is UOXMJKDGJMTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO/c1-2-8-3(9)4(5,6)7/h2H,1H2,(H,8,9).
What are the key properties of N-ethenyl-2,2,2-trifluoroacetamide?
N-ethenyl-2,2,2-trifluoroacetamide has a molecular weight of 139.08 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11378531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).