4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide

C6H8F3NO3 — CID 22988005

IUPAC4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide
SMILESCON(C)C(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-10(13-2)5(12)3-4(11)6(7,8)9/h3H2,1-2H3
InChIKeyKAKDZZUIUOOVQP-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.53
Rot. Bonds3

About 4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide

4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide (PubChem CID 22988005) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide
PubChem CID22988005
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Name4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide
SMILESCON(C)C(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-10(13-2)5(12)3-4(11)6(7,8)9/h3H2,1-2H3
InChIKeyKAKDZZUIUOOVQP-UHFFFAOYSA-N
XLogP0.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide?
The IUPAC name of 4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide (CID 22988005) is 4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide is CON(C)C(=O)CC(=O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide?
The InChIKey is KAKDZZUIUOOVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c1-10(13-2)5(12)3-4(11)6(7,8)9/h3H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide?
4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide has a molecular weight of 199.13 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide is sourced from PubChem (CID 22988005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).