4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid

C6H7F4NO3 — CID 142578777

IUPAC4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
SMILESCCNC(=O)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C6H7F4NO3/c1-2-11-3(12)5(7,8)6(9,10)4(13)14/h2H2,1H3,(H,11,12)(H,13,14)
InChIKeyAVUKWZZVBPUTHB-UHFFFAOYSA-N
MW217.12 g/mol
LogP0.48
Rot. Bonds4

About 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid

4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid (PubChem CID 142578777) has the molecular formula C6H7F4NO3 and a molecular weight of 217.12 g/mol. Its IUPAC name is 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
PubChem CID142578777
Molecular FormulaC6H7F4NO3
Molecular Weight217.12 g/mol
Exact Mass217.04
IUPAC Name4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
SMILESCCNC(=O)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C6H7F4NO3/c1-2-11-3(12)5(7,8)6(9,10)4(13)14/h2H2,1H3,(H,11,12)(H,13,14)
InChIKeyAVUKWZZVBPUTHB-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(propylcarbamoyl)propanoic Acid
CID 4034758
4-(Isopropylamino)-4-oxobutanoic acid
CID 245007
Butanoic acid, 4-(butylamino)-4-oxo-
CID 244664
4-(2,2,2-Trifluoroacetamido)butanoic acid
CID 303592
3-(ethylcarbamoyl)propanoic Acid
CID 4166223
4-(3,3,3-Trifluoropropanoylamino)butanoic acid
CID 16773567
4-Oxo-4-(2,2,2-trifluoroethylamino)butanoic acid
CID 43396595
2,2,3,3-Tetrafluoro-4-(methylamino)-4-oxobutanoic acid
CID 58663902
4-(4,4,4-Trifluorobutanoylamino)butanoic acid
CID 65711694
4-{Bis[2-(2,2,2-trifluoroacetamido)ethyl]amino}-4-oxobutanoic acid
CID 71421114
4-Oxo-4-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]butanoic acid
CID 87217763
4-(2-Aminoethylamino)-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 87663732

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
The IUPAC name of 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid (CID 142578777) is 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid.
What is the SMILES notation for 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
The canonical SMILES for 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid is CCNC(=O)C(F)(F)C(F)(F)C(=O)O.
What is the InChIKey of 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
The InChIKey is AVUKWZZVBPUTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4NO3/c1-2-11-3(12)5(7,8)6(9,10)4(13)14/h2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid has a molecular weight of 217.12 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid is sourced from PubChem (CID 142578777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).