N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide

C6H8F3NO — CID 14120807

IUPACN-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
SMILESC/C=C/CNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-3-4-10-5(11)6(7,8)9/h2-3H,4H2,1H3,(H,10,11)/b3-2+
InChIKeyNOSLMSSVMRIYKY-NSCUHMNNSA-N
MW167.13 g/mol
LogP1.24
Rot. Bonds2

About N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide

N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide (PubChem CID 14120807) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
PubChem CID14120807
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC NameN-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
SMILESC/C=C/CNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-3-4-10-5(11)6(7,8)9/h2-3H,4H2,1H3,(H,10,11)/b3-2+
InChIKeyNOSLMSSVMRIYKY-NSCUHMNNSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.24
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 N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide (CID 14120807) is N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide is C/C=C/CNC(=O)C(F)(F)F.
What is the InChIKey of N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide?
The InChIKey is NOSLMSSVMRIYKY-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-2-3-4-10-5(11)6(7,8)9/h2-3H,4H2,1H3,(H,10,11)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide?
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide has a molecular weight of 167.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 14120807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).