2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid

C13H16FNO2 — CID 83870307

IUPAC2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid
SMILESCC(C)N1c2ccc(F)cc2CC1CC(=O)O
InChIInChI=1S/C13H16FNO2/c1-8(2)15-11(7-13(16)17)6-9-5-10(14)3-4-12(9)15/h3-5,8,11H,6-7H2,1-2H3,(H,16,17)
InChIKeyXPEZRDOPKXBABW-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.44
Rot. Bonds3

About 2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid

2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid (PubChem CID 83870307) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid
PubChem CID83870307
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid
SMILESCC(C)N1c2ccc(F)cc2CC1CC(=O)O
InChIInChI=1S/C13H16FNO2/c1-8(2)15-11(7-13(16)17)6-9-5-10(14)3-4-12(9)15/h3-5,8,11H,6-7H2,1-2H3,(H,16,17)
InChIKeyXPEZRDOPKXBABW-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201252
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 115006247
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117201259
2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid
CID 117201234
2-(1-acetyl-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-4-yl)acetic acid
CID 82624855
2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
CID 117201541
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 82401388
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
CID 117201564
5-fluoro-2-(4-propan-2-ylpiperazin-1-yl)benzaldehyde
CID 43585389
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
tert-butyl 2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 122199003
2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
CID 117203319

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid (CID 83870307) is 2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid is CC(C)N1c2ccc(F)cc2CC1CC(=O)O.
What is the InChIKey of 2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid?
The InChIKey is XPEZRDOPKXBABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8(2)15-11(7-13(16)17)6-9-5-10(14)3-4-12(9)15/h3-5,8,11H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid?
2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid has a molecular weight of 237.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid is sourced from PubChem (CID 83870307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).