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

C6H9FN2O2 — CID 174415204

IUPAC2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide
SMILES[H]/N=C/C(=O)[C@@H](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+/t4-/m1/s1
InChIKeyRHZKFXFBNBTBET-QKNIHBTKSA-N
MW160.15 g/mol
LogP-0.32
Rot. Bonds4

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

2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide (PubChem CID 174415204) has the molecular formula C6H9FN2O2 and a molecular weight of 160.15 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide
PubChem CID174415204
Molecular FormulaC6H9FN2O2
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide
SMILES[H]/N=C/C(=O)[C@@H](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+/t4-/m1/s1
InChIKeyRHZKFXFBNBTBET-QKNIHBTKSA-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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Related Compounds

CID 174404704
CID 174404704
CID 174468139
CID 174468139
CID 53797001
CID 53797001
CID 141891338
CID 141891338
CID 167261957
CID 167261957
CID 71409177
CID 71409177
CID 135457364
CID 135457364

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide?
The IUPAC name of 2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide (CID 174415204) is 2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide is [H]/N=C/C(=O)[C@@H](C)NC(=O)CF.
What is the InChIKey of 2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide?
The InChIKey is RHZKFXFBNBTBET-QKNIHBTKSA-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+/t4-/m1/s1.
What are the key properties of 2-fluoro-N-[(2R)-4-imino-3-oxobutan-2-yl]acetamide?
2-fluoro-N-[(2R)-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-[(2R)-4-imino-3-oxobutan-2-yl]acetamide is sourced from PubChem (CID 174415204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).