7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one

C11H12FNO2 — CID 82173521

IUPAC7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
SMILESCCC(O)c1cc(F)c2c(c1)CC(=O)N2
InChIInChI=1S/C11H12FNO2/c1-2-9(14)6-3-7-5-10(15)13-11(7)8(12)4-6/h3-4,9,14H,2,5H2,1H3,(H,13,15)
InChIKeyNJQXVGYAMHOLQH-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.76
Rot. Bonds2

About 7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one

7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one (PubChem CID 82173521) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
PubChem CID82173521
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
SMILESCCC(O)c1cc(F)c2c(c1)CC(=O)N2
InChIInChI=1S/C11H12FNO2/c1-2-9(14)6-3-7-5-10(15)13-11(7)8(12)4-6/h3-4,9,14H,2,5H2,1H3,(H,13,15)
InChIKeyNJQXVGYAMHOLQH-UHFFFAOYSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one
CID 82173542
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 82173545
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one
CID 82173516
7-fluoro-5-propan-2-yloxy-1,3-dihydroindol-2-one
CID 71144685
7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one
CID 82172932
6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174262
5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173058
7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one
CID 69468406
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82172917
7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
CID 82173571

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one (CID 82173521) is 7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one is CCC(O)c1cc(F)c2c(c1)CC(=O)N2.
What is the InChIKey of 7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
The InChIKey is NJQXVGYAMHOLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-9(14)6-3-7-5-10(15)13-11(7)8(12)4-6/h3-4,9,14H,2,5H2,1H3,(H,13,15).
What are the key properties of 7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).