N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide

C8H12F3NO2 — CID 103208991

IUPACN-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC=CCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-2-3-4-12-7(13)5-14-6-8(9,10)11/h2H,1,3-6H2,(H,12,13)
InChIKeyFQPXLCXAPUXGBE-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.26
Rot. Bonds6

About N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide

N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103208991) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103208991
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC NameN-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC=CCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-2-3-4-12-7(13)5-14-6-8(9,10)11/h2H,1,3-6H2,(H,12,13)
InChIKeyFQPXLCXAPUXGBE-UHFFFAOYSA-N
XLogP1.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103208991) is N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide is C=CCCNC(=O)COCC(F)(F)F.
What is the InChIKey of N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is FQPXLCXAPUXGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-2-3-4-12-7(13)5-14-6-8(9,10)11/h2H,1,3-6H2,(H,12,13).
What are the key properties of N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103208991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).