(4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

C10H8F3NO4 — CID 112736689

IUPAC(4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)c(F)c(O)c1F)N1CC(O)CO1
InChIInChI=1S/C10H8F3NO4/c11-6-1-5(7(12)9(16)8(6)13)10(17)14-2-4(15)3-18-14/h1,4,15-16H,2-3H2
InChIKeyREPVMZHXGNSJEN-UHFFFAOYSA-N
MW263.17 g/mol
LogP0.56
Rot. Bonds1

About (4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

(4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 112736689) has the molecular formula C10H8F3NO4 and a molecular weight of 263.17 g/mol. Its IUPAC name is (4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID112736689
Molecular FormulaC10H8F3NO4
Molecular Weight263.17 g/mol
Exact Mass263.04
IUPAC Name(4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)c(F)c(O)c1F)N1CC(O)CO1
InChIInChI=1S/C10H8F3NO4/c11-6-1-5(7(12)9(16)8(6)13)10(17)14-2-4(15)3-18-14/h1,4,15-16H,2-3H2
InChIKeyREPVMZHXGNSJEN-UHFFFAOYSA-N
XLogP0.56
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of (4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 112736689) is (4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1cc(F)c(F)c(O)c1F)N1CC(O)CO1.
What is the InChIKey of (4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is REPVMZHXGNSJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO4/c11-6-1-5(7(12)9(16)8(6)13)10(17)14-2-4(15)3-18-14/h1,4,15-16H,2-3H2.
What are the key properties of (4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
(4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 263.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 112736689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).