5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione

C19H17F2NO4 — CID 10309106

IUPAC5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione
SMILESCOC[C@H](C)N1C(=O)c2ccc(OCc3ccc(F)c(F)c3)cc2C1=O
InChIInChI=1S/C19H17F2NO4/c1-11(9-25-2)22-18(23)14-5-4-13(8-15(14)19(22)24)26-10-12-3-6-16(20)17(21)7-12/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyDCMOJYQTVRHPEY-NSHDSACASA-N
MW361.34 g/mol
LogP3.17
Rot. Bonds6

About 5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione

5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione (PubChem CID 10309106) has the molecular formula C19H17F2NO4 and a molecular weight of 361.34 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione
PubChem CID10309106
Molecular FormulaC19H17F2NO4
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione
SMILESCOC[C@H](C)N1C(=O)c2ccc(OCc3ccc(F)c(F)c3)cc2C1=O
InChIInChI=1S/C19H17F2NO4/c1-11(9-25-2)22-18(23)14-5-4-13(8-15(14)19(22)24)26-10-12-3-6-16(20)17(21)7-12/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyDCMOJYQTVRHPEY-NSHDSACASA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
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 5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione (CID 10309106) is 5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione is COC[C@H](C)N1C(=O)c2ccc(OCc3ccc(F)c(F)c3)cc2C1=O.
What is the InChIKey of 5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione?
The InChIKey is DCMOJYQTVRHPEY-NSHDSACASA-N. The full InChI is InChI=1S/C19H17F2NO4/c1-11(9-25-2)22-18(23)14-5-4-13(8-15(14)19(22)24)26-10-12-3-6-16(20)17(21)7-12/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione?
5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione has a molecular weight of 361.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 10309106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).