5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one

C14H17F2NO3Si — CID 90080906

IUPAC5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
SMILESCC1(c2cc(F)cc(F)c2)OC(N)=C(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H17F2NO3Si/c1-14(8-5-9(15)7-10(16)6-8)12(18)11(13(17)19-14)20-21(2,3)4/h5-7H,17H2,1-4H3
InChIKeyYNBXMQVGDNBDSR-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.76
Rot. Bonds3

About 5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one

5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one (PubChem CID 90080906) has the molecular formula C14H17F2NO3Si and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one.

Molecular Properties

Compound Name5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
PubChem CID90080906
Molecular FormulaC14H17F2NO3Si
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
SMILESCC1(c2cc(F)cc(F)c2)OC(N)=C(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H17F2NO3Si/c1-14(8-5-9(15)7-10(16)6-8)12(18)11(13(17)19-14)20-21(2,3)4/h5-7H,17H2,1-4H3
InChIKeyYNBXMQVGDNBDSR-UHFFFAOYSA-N
XLogP2.76
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one?
The IUPAC name of 5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one (CID 90080906) is 5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one.
What is the SMILES notation for 5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one?
The canonical SMILES for 5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one is CC1(c2cc(F)cc(F)c2)OC(N)=C(O[Si](C)(C)C)C1=O.
What is the InChIKey of 5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one?
The InChIKey is YNBXMQVGDNBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3Si/c1-14(8-5-9(15)7-10(16)6-8)12(18)11(13(17)19-14)20-21(2,3)4/h5-7H,17H2,1-4H3.
What are the key properties of 5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one?
5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one has a molecular weight of 313.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-difluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one is sourced from PubChem (CID 90080906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).