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

C13H16FNO2 — CID 83870304

IUPAC3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
SMILESCC(CC1Cc2cccc(F)c2N1C)C(=O)O
InChIInChI=1S/C13H16FNO2/c1-8(13(16)17)6-10-7-9-4-3-5-11(14)12(9)15(10)2/h3-5,8,10H,6-7H2,1-2H3,(H,16,17)
InChIKeyLYHJBXFGUOCGPN-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.30
Rot. Bonds3

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

3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid (PubChem CID 83870304) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
PubChem CID83870304
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
SMILESCC(CC1Cc2cccc(F)c2N1C)C(=O)O
InChIInChI=1S/C13H16FNO2/c1-8(13(16)17)6-10-7-9-4-3-5-11(14)12(9)15(10)2/h3-5,8,10H,6-7H2,1-2H3,(H,16,17)
InChIKeyLYHJBXFGUOCGPN-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117198727
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199116
3-(4-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid
CID 117198716
3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
CID 115106341
3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860886
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117201259
1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198605
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid
CID 93107764
3-[(9R)-2-fluoro-7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-yl]-2-methylpropanoic acid
CID 172651711
3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylpropanoic acid
CID 106892370

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid (CID 83870304) is 3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid is CC(CC1Cc2cccc(F)c2N1C)C(=O)O.
What is the InChIKey of 3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The InChIKey is LYHJBXFGUOCGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8(13(16)17)6-10-7-9-4-3-5-11(14)12(9)15(10)2/h3-5,8,10H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid has a molecular weight of 237.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83870304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).