2-fluoro-N,N,2-trimethyl-4-oxopentanamide

C8H14FNO2 — CID 159849850

IUPAC2-fluoro-N,N,2-trimethyl-4-oxopentanamide
SMILESCC(=O)CC(C)(F)C(=O)N(C)C
InChIInChI=1S/C8H14FNO2/c1-6(11)5-8(2,9)7(12)10(3)4/h5H2,1-4H3
InChIKeyLJQWDZWGDDYZLU-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.78
Rot. Bonds3

About 2-fluoro-N,N,2-trimethyl-4-oxopentanamide

2-fluoro-N,N,2-trimethyl-4-oxopentanamide (PubChem CID 159849850) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-fluoro-N,N,2-trimethyl-4-oxopentanamide.

Molecular Properties

Compound Name2-fluoro-N,N,2-trimethyl-4-oxopentanamide
PubChem CID159849850
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-fluoro-N,N,2-trimethyl-4-oxopentanamide
SMILESCC(=O)CC(C)(F)C(=O)N(C)C
InChIInChI=1S/C8H14FNO2/c1-6(11)5-8(2,9)7(12)10(3)4/h5H2,1-4H3
InChIKeyLJQWDZWGDDYZLU-UHFFFAOYSA-N
XLogP0.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N,2-trimethyl-4-oxopentanamide?
The IUPAC name of 2-fluoro-N,N,2-trimethyl-4-oxopentanamide (CID 159849850) is 2-fluoro-N,N,2-trimethyl-4-oxopentanamide.
What is the SMILES notation for 2-fluoro-N,N,2-trimethyl-4-oxopentanamide?
The canonical SMILES for 2-fluoro-N,N,2-trimethyl-4-oxopentanamide is CC(=O)CC(C)(F)C(=O)N(C)C.
What is the InChIKey of 2-fluoro-N,N,2-trimethyl-4-oxopentanamide?
The InChIKey is LJQWDZWGDDYZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6(11)5-8(2,9)7(12)10(3)4/h5H2,1-4H3.
What are the key properties of 2-fluoro-N,N,2-trimethyl-4-oxopentanamide?
2-fluoro-N,N,2-trimethyl-4-oxopentanamide has a molecular weight of 175.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N,2-trimethyl-4-oxopentanamide is sourced from PubChem (CID 159849850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).