tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate

C19H18FNO4 — CID 122230561

IUPACtert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@](O)(c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C19H18FNO4/c1-18(2,3)25-17(23)21-15-10-9-13(20)11-14(15)19(24,16(21)22)12-7-5-4-6-8-12/h4-11,24H,1-3H3/t19-/m1/s1
InChIKeyXYQIKLCCACXQKR-LJQANCHMSA-N
MW343.35 g/mol
LogP3.34
Rot. Bonds1

About tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate

tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate (PubChem CID 122230561) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate
PubChem CID122230561
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Nametert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@](O)(c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C19H18FNO4/c1-18(2,3)25-17(23)21-15-10-9-13(20)11-14(15)19(24,16(21)22)12-7-5-4-6-8-12/h4-11,24H,1-3H3/t19-/m1/s1
InChIKeyXYQIKLCCACXQKR-LJQANCHMSA-N
XLogP3.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate?
The IUPAC name of tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate (CID 122230561) is tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@](O)(c2ccccc2)c2cc(F)ccc21.
What is the InChIKey of tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate?
The InChIKey is XYQIKLCCACXQKR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-18(2,3)25-17(23)21-15-10-9-13(20)11-14(15)19(24,16(21)22)12-7-5-4-6-8-12/h4-11,24H,1-3H3/t19-/m1/s1.
What are the key properties of tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate?
tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate has a molecular weight of 343.35 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-5-fluoro-3-hydroxy-2-oxo-3-phenylindole-1-carboxylate is sourced from PubChem (CID 122230561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).