(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate

C11H12FNO2 — CID 172766683

IUPAC(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate
SMILESCC(=O)OCC1CNc2ccc(F)cc21
InChIInChI=1S/C11H12FNO2/c1-7(14)15-6-8-5-13-11-3-2-9(12)4-10(8)11/h2-4,8,13H,5-6H2,1H3
InChIKeyMKEMHIZHBFDRAF-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.90
Rot. Bonds2

About (5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate

(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate (PubChem CID 172766683) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate
PubChem CID172766683
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate
SMILESCC(=O)OCC1CNc2ccc(F)cc21
InChIInChI=1S/C11H12FNO2/c1-7(14)15-6-8-5-13-11-3-2-9(12)4-10(8)11/h2-4,8,13H,5-6H2,1H3
InChIKeyMKEMHIZHBFDRAF-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate?
The IUPAC name of (5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate (CID 172766683) is (5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate?
The canonical SMILES for (5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate is CC(=O)OCC1CNc2ccc(F)cc21.
What is the InChIKey of (5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate?
The InChIKey is MKEMHIZHBFDRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-7(14)15-6-8-5-13-11-3-2-9(12)4-10(8)11/h2-4,8,13H,5-6H2,1H3.
What are the key properties of (5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate?
(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate has a molecular weight of 209.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate is sourced from PubChem (CID 172766683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).