(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one

C9H8FNO — CID 96670291

IUPAC(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@H]1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C9H8FNO/c1-5-7-3-2-6(10)4-8(7)11-9(5)12/h2-5H,1H3,(H,11,12)/t5-/m1/s1
InChIKeyXBCJUSMRZPDOHS-RXMQYKEDSA-N
MW165.17 g/mol
LogP1.88
Rot. Bonds

About (3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one

(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 96670291) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is (3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
PubChem CID96670291
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@H]1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C9H8FNO/c1-5-7-3-2-6(10)4-8(7)11-9(5)12/h2-5H,1H3,(H,11,12)/t5-/m1/s1
InChIKeyXBCJUSMRZPDOHS-RXMQYKEDSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one (CID 96670291) is (3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one is C[C@H]1C(=O)Nc2cc(F)ccc21.
What is the InChIKey of (3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is XBCJUSMRZPDOHS-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H8FNO/c1-5-7-3-2-6(10)4-8(7)11-9(5)12/h2-5H,1H3,(H,11,12)/t5-/m1/s1.
What are the key properties of (3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one?
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 165.17 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 96670291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).