2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid

C11H12FNO2 — CID 82276735

IUPAC2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCN1CC(CC(=O)O)c2cccc(F)c21
InChIInChI=1S/C11H12FNO2/c1-13-6-7(5-10(14)15)8-3-2-4-9(12)11(8)13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyNQRNRDZMTCQFKD-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.83
Rot. Bonds2

About 2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid

2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid (PubChem CID 82276735) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid
PubChem CID82276735
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCN1CC(CC(=O)O)c2cccc(F)c21
InChIInChI=1S/C11H12FNO2/c1-13-6-7(5-10(14)15)8-3-2-4-9(12)11(8)13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyNQRNRDZMTCQFKD-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-acetyl-9-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl)acetic acid
CID 82624858
2-[8-fluoro-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid
CID 165472857
2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid
CID 82496057
4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 90169120
2-(8-fluoro-1,4-dimethyl-3-oxo-2H-quinoxalin-2-yl)acetic acid
CID 84634601
2-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
CID 84635031
2-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetic acid
CID 82391493
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid
CID 82276720
2-(2-methyl-1,5-dioxo-3,4-dihydro-2-benzazepin-4-yl)acetic acid
CID 139822099
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115033850

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid (CID 82276735) is 2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid is CN1CC(CC(=O)O)c2cccc(F)c21.
What is the InChIKey of 2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid?
The InChIKey is NQRNRDZMTCQFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-13-6-7(5-10(14)15)8-3-2-4-9(12)11(8)13/h2-4,7H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid?
2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid has a molecular weight of 209.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 82276735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).