N,N-diethyl-2,2-difluoro-3-oxopropanamide

C7H11F2NO2 — CID 15651592

IUPACN,N-diethyl-2,2-difluoro-3-oxopropanamide
SMILESCCN(CC)C(=O)C(F)(F)C=O
InChIInChI=1S/C7H11F2NO2/c1-3-10(4-2)6(12)7(8,9)5-11/h5H,3-4H2,1-2H3
InChIKeyGUKGLKHDEJUEBR-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.69
Rot. Bonds4

About N,N-diethyl-2,2-difluoro-3-oxopropanamide

N,N-diethyl-2,2-difluoro-3-oxopropanamide (PubChem CID 15651592) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is N,N-diethyl-2,2-difluoro-3-oxopropanamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-difluoro-3-oxopropanamide
PubChem CID15651592
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC NameN,N-diethyl-2,2-difluoro-3-oxopropanamide
SMILESCCN(CC)C(=O)C(F)(F)C=O
InChIInChI=1S/C7H11F2NO2/c1-3-10(4-2)6(12)7(8,9)5-11/h5H,3-4H2,1-2H3
InChIKeyGUKGLKHDEJUEBR-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-difluoro-3-oxopropanamide?
The IUPAC name of N,N-diethyl-2,2-difluoro-3-oxopropanamide (CID 15651592) is N,N-diethyl-2,2-difluoro-3-oxopropanamide.
What is the SMILES notation for N,N-diethyl-2,2-difluoro-3-oxopropanamide?
The canonical SMILES for N,N-diethyl-2,2-difluoro-3-oxopropanamide is CCN(CC)C(=O)C(F)(F)C=O.
What is the InChIKey of N,N-diethyl-2,2-difluoro-3-oxopropanamide?
The InChIKey is GUKGLKHDEJUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-3-10(4-2)6(12)7(8,9)5-11/h5H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,2-difluoro-3-oxopropanamide?
N,N-diethyl-2,2-difluoro-3-oxopropanamide has a molecular weight of 179.17 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-difluoro-3-oxopropanamide is sourced from PubChem (CID 15651592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).