7-fluoro-3-octyl-1,3-dihydroindol-2-one

C16H22FNO — CID 106820157

IUPAC7-fluoro-3-octyl-1,3-dihydroindol-2-one
SMILESCCCCCCCCC1C(=O)Nc2c(F)cccc21
InChIInChI=1S/C16H22FNO/c1-2-3-4-5-6-7-9-13-12-10-8-11-14(17)15(12)18-16(13)19/h8,10-11,13H,2-7,9H2,1H3,(H,18,19)
InChIKeyRMHAULPXVIHCMA-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.61
Rot. Bonds7

About 7-fluoro-3-octyl-1,3-dihydroindol-2-one

7-fluoro-3-octyl-1,3-dihydroindol-2-one (PubChem CID 106820157) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 7-fluoro-3-octyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-3-octyl-1,3-dihydroindol-2-one
PubChem CID106820157
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name7-fluoro-3-octyl-1,3-dihydroindol-2-one
SMILESCCCCCCCCC1C(=O)Nc2c(F)cccc21
InChIInChI=1S/C16H22FNO/c1-2-3-4-5-6-7-9-13-12-10-8-11-14(17)15(12)18-16(13)19/h8,10-11,13H,2-7,9H2,1H3,(H,18,19)
InChIKeyRMHAULPXVIHCMA-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-octyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-3-octyl-1,3-dihydroindol-2-one (CID 106820157) is 7-fluoro-3-octyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-3-octyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-3-octyl-1,3-dihydroindol-2-one is CCCCCCCCC1C(=O)Nc2c(F)cccc21.
What is the InChIKey of 7-fluoro-3-octyl-1,3-dihydroindol-2-one?
The InChIKey is RMHAULPXVIHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-3-4-5-6-7-9-13-12-10-8-11-14(17)15(12)18-16(13)19/h8,10-11,13H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 7-fluoro-3-octyl-1,3-dihydroindol-2-one?
7-fluoro-3-octyl-1,3-dihydroindol-2-one has a molecular weight of 263.36 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-octyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 106820157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).