(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate

C11H12FNO2 — CID 174343727

IUPAC(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate
SMILESCC(=O)OC1Cc2cc(F)ccc2N1C
InChIInChI=1S/C11H12FNO2/c1-7(14)15-11-6-8-5-9(12)3-4-10(8)13(11)2/h3-5,11H,6H2,1-2H3
InChIKeyXTOQMKSSVWOVJD-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.71
Rot. Bonds1

About (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate

(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate (PubChem CID 174343727) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate.

Molecular Properties

Compound Name(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate
PubChem CID174343727
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate
SMILESCC(=O)OC1Cc2cc(F)ccc2N1C
InChIInChI=1S/C11H12FNO2/c1-7(14)15-11-6-8-5-9(12)3-4-10(8)13(11)2/h3-5,11H,6H2,1-2H3
InChIKeyXTOQMKSSVWOVJD-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate?
The IUPAC name of (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate (CID 174343727) is (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate.
What is the SMILES notation for (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate?
The canonical SMILES for (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate is CC(=O)OC1Cc2cc(F)ccc2N1C.
What is the InChIKey of (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate?
The InChIKey is XTOQMKSSVWOVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-7(14)15-11-6-8-5-9(12)3-4-10(8)13(11)2/h3-5,11H,6H2,1-2H3.
What are the key properties of (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate?
(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate has a molecular weight of 209.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) acetate is sourced from PubChem (CID 174343727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).