2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione

C19H16F3NO4 — CID 11372379

IUPAC2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H](COCc1ccccc1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C19H16F3NO4/c20-19(21,22)16(24)15(11-27-10-12-6-2-1-3-7-12)23-17(25)13-8-4-5-9-14(13)18(23)26/h1-9,15-16,24H,10-11H2/t15-,16-/m1/s1
InChIKeyYBNWDGYVUYDXGA-HZPDHXFCSA-N
MW379.33 g/mol
LogP2.79
Rot. Bonds6

About 2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione

2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione (PubChem CID 11372379) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione
PubChem CID11372379
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H](COCc1ccccc1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C19H16F3NO4/c20-19(21,22)16(24)15(11-27-10-12-6-2-1-3-7-12)23-17(25)13-8-4-5-9-14(13)18(23)26/h1-9,15-16,24H,10-11H2/t15-,16-/m1/s1
InChIKeyYBNWDGYVUYDXGA-HZPDHXFCSA-N
XLogP2.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione (CID 11372379) is 2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@H](COCc1ccccc1)[C@@H](O)C(F)(F)F.
What is the InChIKey of 2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione?
The InChIKey is YBNWDGYVUYDXGA-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H16F3NO4/c20-19(21,22)16(24)15(11-27-10-12-6-2-1-3-7-12)23-17(25)13-8-4-5-9-14(13)18(23)26/h1-9,15-16,24H,10-11H2/t15-,16-/m1/s1.
What are the key properties of 2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione?
2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione has a molecular weight of 379.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 11372379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).