fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate

C11H10FNO3 — CID 166140340

IUPACfluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate
SMILESCC(O)c1cccc2cc(C(=O)OF)[nH]c12
InChIInChI=1S/C11H10FNO3/c1-6(14)8-4-2-3-7-5-9(11(15)16-12)13-10(7)8/h2-6,13-14H,1H3
InChIKeyQWHDEAXFEZLBQJ-UHFFFAOYSA-N
MW223.20 g/mol
LogP2.26
Rot. Bonds2

About fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate

fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate (PubChem CID 166140340) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namefluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate
PubChem CID166140340
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Namefluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate
SMILESCC(O)c1cccc2cc(C(=O)OF)[nH]c12
InChIInChI=1S/C11H10FNO3/c1-6(14)8-4-2-3-7-5-9(11(15)16-12)13-10(7)8/h2-6,13-14H,1H3
InChIKeyQWHDEAXFEZLBQJ-UHFFFAOYSA-N
XLogP2.26
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate?
The IUPAC name of fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate (CID 166140340) is fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate.
What is the SMILES notation for fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate?
The canonical SMILES for fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate is CC(O)c1cccc2cc(C(=O)OF)[nH]c12.
What is the InChIKey of fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate?
The InChIKey is QWHDEAXFEZLBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-6(14)8-4-2-3-7-5-9(11(15)16-12)13-10(7)8/h2-6,13-14H,1H3.
What are the key properties of fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate?
fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate has a molecular weight of 223.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 166140340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).