3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid

C12H12FNO2 — CID 84686528

IUPAC3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid
SMILESCC(C)(F)c1c[nH]c2c(C(=O)O)cccc12
InChIInChI=1S/C12H12FNO2/c1-12(2,13)9-6-14-10-7(9)4-3-5-8(10)11(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKeyCAJIMDQZCSMKFF-UHFFFAOYSA-N
MW221.23 g/mol
LogP3.07
Rot. Bonds2

About 3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid

3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid (PubChem CID 84686528) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid
PubChem CID84686528
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid
SMILESCC(C)(F)c1c[nH]c2c(C(=O)O)cccc12
InChIInChI=1S/C12H12FNO2/c1-12(2,13)9-6-14-10-7(9)4-3-5-8(10)11(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKeyCAJIMDQZCSMKFF-UHFFFAOYSA-N
XLogP3.07
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid?
The IUPAC name of 3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid (CID 84686528) is 3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid is CC(C)(F)c1c[nH]c2c(C(=O)O)cccc12.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid?
The InChIKey is CAJIMDQZCSMKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-12(2,13)9-6-14-10-7(9)4-3-5-8(10)11(15)16/h3-6,14H,1-2H3,(H,15,16).
What are the key properties of 3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid?
3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid has a molecular weight of 221.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid is sourced from PubChem (CID 84686528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).