2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid

C14H16FNO3 — CID 115072997

IUPAC2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
SMILESCc1c(C(O)C(=O)O)c2cc(F)ccc2n1C(C)C
InChIInChI=1S/C14H16FNO3/c1-7(2)16-8(3)12(13(17)14(18)19)10-6-9(15)4-5-11(10)16/h4-7,13,17H,1-3H3,(H,18,19)
InChIKeyRHMGMSDEMHSNBQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.79
Rot. Bonds3

About 2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid

2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid (PubChem CID 115072997) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
PubChem CID115072997
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
SMILESCc1c(C(O)C(=O)O)c2cc(F)ccc2n1C(C)C
InChIInChI=1S/C14H16FNO3/c1-7(2)16-8(3)12(13(17)14(18)19)10-6-9(15)4-5-11(10)16/h4-7,13,17H,1-3H3,(H,18,19)
InChIKeyRHMGMSDEMHSNBQ-UHFFFAOYSA-N
XLogP2.79
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid (CID 115072997) is 2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid is Cc1c(C(O)C(=O)O)c2cc(F)ccc2n1C(C)C.
What is the InChIKey of 2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
The InChIKey is RHMGMSDEMHSNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-7(2)16-8(3)12(13(17)14(18)19)10-6-9(15)4-5-11(10)16/h4-7,13,17H,1-3H3,(H,18,19).
What are the key properties of 2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid has a molecular weight of 265.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 115072997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).