methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate

C13H16FNO2 — CID 103497970

IUPACmethyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCc2ccc(F)cc21
InChIInChI=1S/C13H16FNO2/c1-9(13(16)17-2)8-15-6-5-10-3-4-11(14)7-12(10)15/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyUPWSBAUKDSGSNJ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.00
Rot. Bonds3

About methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate

methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate (PubChem CID 103497970) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
PubChem CID103497970
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCc2ccc(F)cc21
InChIInChI=1S/C13H16FNO2/c1-9(13(16)17-2)8-15-6-5-10-3-4-11(14)7-12(10)15/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyUPWSBAUKDSGSNJ-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
CID 103501880
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid
CID 103501858
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide
CID 103501897
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
1-cyclopentyl-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494909
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
CID 103497162
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate (CID 103497970) is methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate is COC(=O)C(C)CN1CCc2ccc(F)cc21.
What is the InChIKey of methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate?
The InChIKey is UPWSBAUKDSGSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(13(16)17-2)8-15-6-5-10-3-4-11(14)7-12(10)15/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate?
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate has a molecular weight of 237.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate is sourced from PubChem (CID 103497970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).