2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide

C10H16F4N2O — CID 23269581

IUPAC2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide
SMILESCCN(CC)C(F)(F)C(C(=O)N(C)C)=C(F)F
InChIInChI=1S/C10H16F4N2O/c1-5-16(6-2)10(13,14)7(8(11)12)9(17)15(3)4/h5-6H2,1-4H3
InChIKeyLTGAOQOQEBFXON-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.16
Rot. Bonds5

About 2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide

2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide (PubChem CID 23269581) has the molecular formula C10H16F4N2O and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide
PubChem CID23269581
Molecular FormulaC10H16F4N2O
Molecular Weight256.24 g/mol
Exact Mass256.12
IUPAC Name2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide
SMILESCCN(CC)C(F)(F)C(C(=O)N(C)C)=C(F)F
InChIInChI=1S/C10H16F4N2O/c1-5-16(6-2)10(13,14)7(8(11)12)9(17)15(3)4/h5-6H2,1-4H3
InChIKeyLTGAOQOQEBFXON-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide?
The IUPAC name of 2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide (CID 23269581) is 2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide?
The canonical SMILES for 2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide is CCN(CC)C(F)(F)C(C(=O)N(C)C)=C(F)F.
What is the InChIKey of 2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide?
The InChIKey is LTGAOQOQEBFXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O/c1-5-16(6-2)10(13,14)7(8(11)12)9(17)15(3)4/h5-6H2,1-4H3.
What are the key properties of 2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide?
2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide has a molecular weight of 256.24 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethylamino(difluoro)methyl]-3,3-difluoro-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 23269581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).