N,N-bis(2,2,2-trifluoroethyl)but-2-enamide

C8H9F6NO — CID 91290554

IUPACN,N-bis(2,2,2-trifluoroethyl)but-2-enamide
SMILESCC=CC(=O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H9F6NO/c1-2-3-6(16)15(4-7(9,10)11)5-8(12,13)14/h2-3H,4-5H2,1H3
InChIKeyRPHCJYMHMQHEPU-UHFFFAOYSA-N
MW249.15 g/mol
LogP2.52
Rot. Bonds3

About N,N-bis(2,2,2-trifluoroethyl)but-2-enamide

N,N-bis(2,2,2-trifluoroethyl)but-2-enamide (PubChem CID 91290554) has the molecular formula C8H9F6NO and a molecular weight of 249.15 g/mol. Its IUPAC name is N,N-bis(2,2,2-trifluoroethyl)but-2-enamide.

Molecular Properties

Compound NameN,N-bis(2,2,2-trifluoroethyl)but-2-enamide
PubChem CID91290554
Molecular FormulaC8H9F6NO
Molecular Weight249.15 g/mol
Exact Mass249.06
IUPAC NameN,N-bis(2,2,2-trifluoroethyl)but-2-enamide
SMILESCC=CC(=O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H9F6NO/c1-2-3-6(16)15(4-7(9,10)11)5-8(12,13)14/h2-3H,4-5H2,1H3
InChIKeyRPHCJYMHMQHEPU-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,2,2-trifluoroethyl)but-2-enamide?
The IUPAC name of N,N-bis(2,2,2-trifluoroethyl)but-2-enamide (CID 91290554) is N,N-bis(2,2,2-trifluoroethyl)but-2-enamide.
What is the SMILES notation for N,N-bis(2,2,2-trifluoroethyl)but-2-enamide?
The canonical SMILES for N,N-bis(2,2,2-trifluoroethyl)but-2-enamide is CC=CC(=O)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of N,N-bis(2,2,2-trifluoroethyl)but-2-enamide?
The InChIKey is RPHCJYMHMQHEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO/c1-2-3-6(16)15(4-7(9,10)11)5-8(12,13)14/h2-3H,4-5H2,1H3.
What are the key properties of N,N-bis(2,2,2-trifluoroethyl)but-2-enamide?
N,N-bis(2,2,2-trifluoroethyl)but-2-enamide has a molecular weight of 249.15 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2,2-trifluoroethyl)but-2-enamide is sourced from PubChem (CID 91290554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).