2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide

C6H9FN2O2 — CID 174404704

IUPAC2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide
SMILES[H]/N=C/C(=O)C(C)NC(=O)CF
InChIInChI=1S/C6H9FN2O2/c1-4(5(10)3-8)9-6(11)2-7/h3-4,8H,2H2,1H3,(H,9,11)/b8-3+
InChIKeyRHZKFXFBNBTBET-FPYGCLRLSA-N
MW160.15 g/mol
LogP-0.32
Rot. Bonds4

About 2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide

2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide (PubChem CID 174404704) has the molecular formula C6H9FN2O2 and a molecular weight of 160.15 g/mol. Its IUPAC name is 2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide
PubChem CID174404704
Molecular FormulaC6H9FN2O2
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide
SMILES[H]/N=C/C(=O)C(C)NC(=O)CF
InChIInChI=1S/C6H9FN2O2/c1-4(5(10)3-8)9-6(11)2-7/h3-4,8H,2H2,1H3,(H,9,11)/b8-3+
InChIKeyRHZKFXFBNBTBET-FPYGCLRLSA-N
XLogP-0.32
TPSA70.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide?
The IUPAC name of 2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide (CID 174404704) is 2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide.
What is the SMILES notation for 2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide?
The canonical SMILES for 2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide is [H]/N=C/C(=O)C(C)NC(=O)CF.
What is the InChIKey of 2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide?
The InChIKey is RHZKFXFBNBTBET-FPYGCLRLSA-N. The full InChI is InChI=1S/C6H9FN2O2/c1-4(5(10)3-8)9-6(11)2-7/h3-4,8H,2H2,1H3,(H,9,11)/b8-3+.
What are the key properties of 2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide?
2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide has a molecular weight of 160.15 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-imino-3-oxobutan-2-yl)acetamide is sourced from PubChem (CID 174404704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).