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

C5H5F4NO3 — CID 58663902

IUPAC2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid
SMILESCNC(=O)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C5H5F4NO3/c1-10-2(11)4(6,7)5(8,9)3(12)13/h1H3,(H,10,11)(H,12,13)
InChIKeyRIZPALGWPWJLIU-UHFFFAOYSA-N
MW203.09 g/mol
LogP0.09
Rot. Bonds3

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

2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid (PubChem CID 58663902) has the molecular formula C5H5F4NO3 and a molecular weight of 203.09 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid
PubChem CID58663902
Molecular FormulaC5H5F4NO3
Molecular Weight203.09 g/mol
Exact Mass203.02
IUPAC Name2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid
SMILESCNC(=O)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C5H5F4NO3/c1-10-2(11)4(6,7)5(8,9)3(12)13/h1H3,(H,10,11)(H,12,13)
InChIKeyRIZPALGWPWJLIU-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.09
LogP ≤ 50.09
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

4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 142578777
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide
CID 3450851
N-methoxymethanamine;2,2,2-trifluoroacetic acid
CID 86135706
benzene;2,2-bis(methylcarbamoyl)propanedioic acid;ethane
CID 160590490
CID 161395602
CID 161395602
2,2-difluoro-3-hydroxy-3-methylbutanoic acid
CID 10773173
2,2-difluoro-N-methyl-3-(methylamino)propanamide
CID 14093529
2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid
CID 4118201
Pentafluoropropanoic acid sodium
CID 71650614
2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 86076103
4-(5-ethyloctan-2-ylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 155110950
2,2,3,3,4,4,5,5,6,6-decafluoro-N-methyl-6-(1,2,2-trifluoroethenoxy)hexanamide
CID 175997151

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid (CID 58663902) is 2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid is CNC(=O)C(F)(F)C(F)(F)C(=O)O.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid?
The InChIKey is RIZPALGWPWJLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F4NO3/c1-10-2(11)4(6,7)5(8,9)3(12)13/h1H3,(H,10,11)(H,12,13).
What are the key properties of 2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid?
2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid has a molecular weight of 203.09 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-(methylamino)-4-oxobutanoic acid is sourced from PubChem (CID 58663902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).