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

C12H14FNO2 — CID 82277183

IUPAC3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid
SMILESCN1CC(CCC(=O)O)c2ccc(F)cc21
InChIInChI=1S/C12H14FNO2/c1-14-7-8(2-5-12(15)16)10-4-3-9(13)6-11(10)14/h3-4,6,8H,2,5,7H2,1H3,(H,15,16)
InChIKeyMOIGXKSNXCJWLJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.22
Rot. Bonds3

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

3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid (PubChem CID 82277183) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid
PubChem CID82277183
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid
SMILESCN1CC(CCC(=O)O)c2ccc(F)cc21
InChIInChI=1S/C12H14FNO2/c1-14-7-8(2-5-12(15)16)10-4-3-9(13)6-11(10)14/h3-4,6,8H,2,5,7H2,1H3,(H,15,16)
InChIKeyMOIGXKSNXCJWLJ-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid?
The IUPAC name of 3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid (CID 82277183) is 3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for 3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid is CN1CC(CCC(=O)O)c2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid?
The InChIKey is MOIGXKSNXCJWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14-7-8(2-5-12(15)16)10-4-3-9(13)6-11(10)14/h3-4,6,8H,2,5,7H2,1H3,(H,15,16).
What are the key properties of 3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid?
3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid has a molecular weight of 223.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 82277183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).