3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid

C14H16FNO2 — CID 117375903

IUPAC3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid
SMILESCc1c[nH]c2c(F)cc(CC(C)(C)C(=O)O)cc12
InChIInChI=1S/C14H16FNO2/c1-8-7-16-12-10(8)4-9(5-11(12)15)6-14(2,3)13(17)18/h4-5,7,16H,6H2,1-3H3,(H,17,18)
InChIKeyMBWUYEGCDWVKNN-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.27
Rot. Bonds3

About 3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid

3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid (PubChem CID 117375903) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid
PubChem CID117375903
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid
SMILESCc1c[nH]c2c(F)cc(CC(C)(C)C(=O)O)cc12
InChIInChI=1S/C14H16FNO2/c1-8-7-16-12-10(8)4-9(5-11(12)15)6-14(2,3)13(17)18/h4-5,7,16H,6H2,1-3H3,(H,17,18)
InChIKeyMBWUYEGCDWVKNN-UHFFFAOYSA-N
XLogP3.27
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride
CID 117409064
3-(3,5-difluoro-4-methylsulfanylphenyl)-2,2-dimethylpropanoic acid
CID 117404944
1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine
CID 117311124
3-[3,5-difluoro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117398966
2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine
CID 96617269
3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid
CID 158737305
ethyl 2-(7-fluoro-3-methyl-1H-indol-5-yl)-2-oxoacetate
CID 117375415
5-bromo-7-fluoro-3-methyl-1H-indole
CID 130050132
7-fluoro-3-methyl-1H-indole-5-carbaldehyde
CID 115004206
7-ethyl-3-methyl-1H-indole-5-carboxylic acid
CID 83946499
3-[3-fluoro-4-(methylcarbamoyl)phenyl]-2,2-dimethylpropanoic acid
CID 158706666
7-fluoro-5-methyl-1H-indole-3-carboxylic acid
CID 130048529

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid (CID 117375903) is 3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid is Cc1c[nH]c2c(F)cc(CC(C)(C)C(=O)O)cc12.
What is the InChIKey of 3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid?
The InChIKey is MBWUYEGCDWVKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-8-7-16-12-10(8)4-9(5-11(12)15)6-14(2,3)13(17)18/h4-5,7,16H,6H2,1-3H3,(H,17,18).
What are the key properties of 3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid?
3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid has a molecular weight of 249.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117375903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).