7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid

C13H14FNO2 — CID 84698514

IUPAC7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid
SMILESCC(C)c1c(C(=O)O)c2cccc(F)c2n1C
InChIInChI=1S/C13H14FNO2/c1-7(2)11-10(13(16)17)8-5-4-6-9(14)12(8)15(11)3/h4-7H,1-3H3,(H,16,17)
InChIKeyAGDYXMDPYPHGEI-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.14
Rot. Bonds2

About 7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid

7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid (PubChem CID 84698514) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid
PubChem CID84698514
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid
SMILESCC(C)c1c(C(=O)O)c2cccc(F)c2n1C
InChIInChI=1S/C13H14FNO2/c1-7(2)11-10(13(16)17)8-5-4-6-9(14)12(8)15(11)3/h4-7H,1-3H3,(H,16,17)
InChIKeyAGDYXMDPYPHGEI-UHFFFAOYSA-N
XLogP3.14
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid
CID 84698511
7-fluoro-1,3-dimethylindole-2-carboxylic acid
CID 82492326
2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone
CID 82498702
2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid
CID 19005913
1-fluoro-9-methylcarbazole
CID 139447921
1-(2,6-difluorophenyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 43325155
3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108534
2-fluoro-6-methylbenzoic acid
CID 13478132
1,3,8-trimethyl-2-oxoquinoline-4-carboxylic acid
CID 165484673
7-ethyl-1,2-dimethylindole-3-carboxylic acid
CID 82493307
2,6-difluoro-3-propan-2-ylbenzoic acid
CID 20820281
3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid?
The IUPAC name of 7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid (CID 84698514) is 7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid?
The canonical SMILES for 7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid is CC(C)c1c(C(=O)O)c2cccc(F)c2n1C.
What is the InChIKey of 7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid?
The InChIKey is AGDYXMDPYPHGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-7(2)11-10(13(16)17)8-5-4-6-9(14)12(8)15(11)3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid?
7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid is sourced from PubChem (CID 84698514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).