amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate

C4H4F3NO5 — CID 131967123

IUPACamino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate
SMILESNOC(=O)C1(F)OC(F)(F)OC1O
InChIInChI=1S/C4H4F3NO5/c5-3(2(10)12-8)1(9)11-4(6,7)13-3/h1,9H,8H2
InChIKeyYCZMXHMSRNRLHS-UHFFFAOYSA-N
MW203.07 g/mol
LogP-1.02
Rot. Bonds1

About amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate

amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate (PubChem CID 131967123) has the molecular formula C4H4F3NO5 and a molecular weight of 203.07 g/mol. Its IUPAC name is amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameamino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate
PubChem CID131967123
Molecular FormulaC4H4F3NO5
Molecular Weight203.07 g/mol
Exact Mass203.00
IUPAC Nameamino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate
SMILESNOC(=O)C1(F)OC(F)(F)OC1O
InChIInChI=1S/C4H4F3NO5/c5-3(2(10)12-8)1(9)11-4(6,7)13-3/h1,9H,8H2
InChIKeyYCZMXHMSRNRLHS-UHFFFAOYSA-N
XLogP-1.02
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate?
The IUPAC name of amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate (CID 131967123) is amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate?
The canonical SMILES for amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate is NOC(=O)C1(F)OC(F)(F)OC1O.
What is the InChIKey of amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate?
The InChIKey is YCZMXHMSRNRLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO5/c5-3(2(10)12-8)1(9)11-4(6,7)13-3/h1,9H,8H2.
What are the key properties of amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate?
amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate has a molecular weight of 203.07 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 131967123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).