6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid

C19H18FNO2 — CID 172674811

IUPAC6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid
SMILESCC(C)Cn1cc(C(=O)O)c2ccc(-c3ccccc3F)cc21
InChIInChI=1S/C19H18FNO2/c1-12(2)10-21-11-16(19(22)23)15-8-7-13(9-18(15)21)14-5-3-4-6-17(14)20/h3-9,11-12H,10H2,1-2H3,(H,22,23)
InChIKeyVRNFOTVFBJLEQX-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.80
Rot. Bonds4

About 6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid

6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid (PubChem CID 172674811) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid
PubChem CID172674811
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid
SMILESCC(C)Cn1cc(C(=O)O)c2ccc(-c3ccccc3F)cc21
InChIInChI=1S/C19H18FNO2/c1-12(2)10-21-11-16(19(22)23)15-8-7-13(9-18(15)21)14-5-3-4-6-17(14)20/h3-9,11-12H,10H2,1-2H3,(H,22,23)
InChIKeyVRNFOTVFBJLEQX-UHFFFAOYSA-N
XLogP4.80
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid?
The IUPAC name of 6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid (CID 172674811) is 6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid.
What is the SMILES notation for 6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid?
The canonical SMILES for 6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid is CC(C)Cn1cc(C(=O)O)c2ccc(-c3ccccc3F)cc21.
What is the InChIKey of 6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid?
The InChIKey is VRNFOTVFBJLEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-12(2)10-21-11-16(19(22)23)15-8-7-13(9-18(15)21)14-5-3-4-6-17(14)20/h3-9,11-12H,10H2,1-2H3,(H,22,23).
What are the key properties of 6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid?
6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid is sourced from PubChem (CID 172674811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).