7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one

C14H22FNOSi — CID 141394965

IUPAC7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one
SMILESCN1C(=O)C(C)(C)C2CC=C([Si](C)(C)C)C(F)=C21
InChIInChI=1S/C14H22FNOSi/c1-14(2)9-7-8-10(18(4,5)6)11(15)12(9)16(3)13(14)17/h8-9H,7H2,1-6H3
InChIKeyCWGRJCCYWFDLIA-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.49
Rot. Bonds1

About 7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one

7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one (PubChem CID 141394965) has the molecular formula C14H22FNOSi and a molecular weight of 267.42 g/mol. Its IUPAC name is 7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one
PubChem CID141394965
Molecular FormulaC14H22FNOSi
Molecular Weight267.42 g/mol
Exact Mass267.15
IUPAC Name7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one
SMILESCN1C(=O)C(C)(C)C2CC=C([Si](C)(C)C)C(F)=C21
InChIInChI=1S/C14H22FNOSi/c1-14(2)9-7-8-10(18(4,5)6)11(15)12(9)16(3)13(14)17/h8-9H,7H2,1-6H3
InChIKeyCWGRJCCYWFDLIA-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one?
The IUPAC name of 7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one (CID 141394965) is 7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one is CN1C(=O)C(C)(C)C2CC=C([Si](C)(C)C)C(F)=C21.
What is the InChIKey of 7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one?
The InChIKey is CWGRJCCYWFDLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNOSi/c1-14(2)9-7-8-10(18(4,5)6)11(15)12(9)16(3)13(14)17/h8-9H,7H2,1-6H3.
What are the key properties of 7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one?
7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one has a molecular weight of 267.42 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,3,3-trimethyl-6-trimethylsilyl-3a,4-dihydroindol-2-one is sourced from PubChem (CID 141394965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).