[hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate

C4H3F4NO4 — CID 172703281

IUPAC[hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate
SMILESO=C(CF)ON(O)C(=O)C(F)(F)F
InChIInChI=1S/C4H3F4NO4/c5-1-2(10)13-9(12)3(11)4(6,7)8/h12H,1H2
InChIKeyDGCBUBHJSUZWPA-UHFFFAOYSA-N
MW205.06 g/mol
LogP0.19
Rot. Bonds1

About [hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate

[hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate (PubChem CID 172703281) has the molecular formula C4H3F4NO4 and a molecular weight of 205.06 g/mol. Its IUPAC name is [hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate.

Molecular Properties

Compound Name[hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate
PubChem CID172703281
Molecular FormulaC4H3F4NO4
Molecular Weight205.06 g/mol
Exact Mass205.00
IUPAC Name[hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate
SMILESO=C(CF)ON(O)C(=O)C(F)(F)F
InChIInChI=1S/C4H3F4NO4/c5-1-2(10)13-9(12)3(11)4(6,7)8/h12H,1H2
InChIKeyDGCBUBHJSUZWPA-UHFFFAOYSA-N
XLogP0.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trifluoromethyl 2-fluoroacetate
CID 151136868
1,1,2-trifluoroethyl 2-fluoroacetate
CID 151748690
trimethylsilyl 2-fluoroacetate
CID 123819311
1,1,1,3-tetrafluoropropan-2-one;hydrate
CID 87581262
2,2,2-trifluoro-N,N-disilylacetamide
CID 123861253
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952
N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide
CID 162572267
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605
2,2,2-trifluoro-N-methyl-N-(trifluoromethoxy)acetamide
CID 58694732
N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 174845848
[methyl-(2,2,2-trifluoroacetyl)amino]azanide
CID 163589584
3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene
CID 20793151

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate?
The IUPAC name of [hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate (CID 172703281) is [hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate.
What is the SMILES notation for [hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate?
The canonical SMILES for [hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate is O=C(CF)ON(O)C(=O)C(F)(F)F.
What is the InChIKey of [hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate?
The InChIKey is DGCBUBHJSUZWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F4NO4/c5-1-2(10)13-9(12)3(11)4(6,7)8/h12H,1H2.
What are the key properties of [hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate?
[hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate has a molecular weight of 205.06 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate is sourced from PubChem (CID 172703281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).