5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid

C14H14FNO3 — CID 82792275

IUPAC5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(Cn2ccc3c(F)cccc32)O1
InChIInChI=1S/C14H14FNO3/c15-11-2-1-3-12-10(11)6-7-16(12)8-9-4-5-13(19-9)14(17)18/h1-3,6-7,9,13H,4-5,8H2,(H,17,18)
InChIKeyICOCBZSZIMVYNG-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.41
Rot. Bonds3

About 5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid

5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 82792275) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid
PubChem CID82792275
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(Cn2ccc3c(F)cccc32)O1
InChIInChI=1S/C14H14FNO3/c15-11-2-1-3-12-10(11)6-7-16(12)8-9-4-5-13(19-9)14(17)18/h1-3,6-7,9,13H,4-5,8H2,(H,17,18)
InChIKeyICOCBZSZIMVYNG-UHFFFAOYSA-N
XLogP2.41
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid (CID 82792275) is 5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(Cn2ccc3c(F)cccc32)O1.
What is the InChIKey of 5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is ICOCBZSZIMVYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-11-2-1-3-12-10(11)6-7-16(12)8-9-4-5-13(19-9)14(17)18/h1-3,6-7,9,13H,4-5,8H2,(H,17,18).
What are the key properties of 5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid?
5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 82792275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).