N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide

C9H11F8NO2 — CID 100977959

IUPACN,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide
SMILESCCN(CC)C(=O)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F8NO2/c1-3-18(4-2)6(19)5(10)20-9(16,17)7(11,12)8(13,14)15/h5H,3-4H2,1-2H3
InChIKeyDWUDAJXPPUBFMZ-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.96
Rot. Bonds6

About N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide

N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide (PubChem CID 100977959) has the molecular formula C9H11F8NO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide
PubChem CID100977959
Molecular FormulaC9H11F8NO2
Molecular Weight317.18 g/mol
Exact Mass317.07
IUPAC NameN,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide
SMILESCCN(CC)C(=O)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F8NO2/c1-3-18(4-2)6(19)5(10)20-9(16,17)7(11,12)8(13,14)15/h5H,3-4H2,1-2H3
InChIKeyDWUDAJXPPUBFMZ-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide?
The IUPAC name of N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide (CID 100977959) is N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide.
What is the SMILES notation for N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide?
The canonical SMILES for N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide is CCN(CC)C(=O)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide?
The InChIKey is DWUDAJXPPUBFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F8NO2/c1-3-18(4-2)6(19)5(10)20-9(16,17)7(11,12)8(13,14)15/h5H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide?
N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide has a molecular weight of 317.18 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetamide is sourced from PubChem (CID 100977959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).