1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one

C12H14FNO2 — CID 126779263

IUPAC1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H14FNO2/c1-16-7-5-12(15)14-6-4-9-2-3-10(13)8-11(9)14/h2-3,8H,4-7H2,1H3
InChIKeyPWFVZOGHWNMLSP-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.75
Rot. Bonds3

About 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one

1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one (PubChem CID 126779263) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
PubChem CID126779263
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H14FNO2/c1-16-7-5-12(15)14-6-4-9-2-3-10(13)8-11(9)14/h2-3,8H,4-7H2,1H3
InChIKeyPWFVZOGHWNMLSP-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
CID 55091829
6-amino-4-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)hexan-1-one
CID 103495276
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344
2,4-difluoro-N-[1-(2-methoxyacetyl)-2,3-dihydroindol-6-yl]benzamide
CID 142343952
3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103493837
2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 136513866
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one (CID 126779263) is 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one is COCCC(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one?
The InChIKey is PWFVZOGHWNMLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-16-7-5-12(15)14-6-4-9-2-3-10(13)8-11(9)14/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one?
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one has a molecular weight of 223.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 126779263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).