5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid

C14H14FNO3 — CID 62300465

IUPAC5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(Cn2ccc3ccc(F)cc32)O1
InChIInChI=1S/C14H14FNO3/c15-10-2-1-9-5-6-16(12(9)7-10)8-11-3-4-13(19-11)14(17)18/h1-2,5-7,11,13H,3-4,8H2,(H,17,18)
InChIKeyJFFXAXQDLCTCSO-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.41
Rot. Bonds3

About 5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid

5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 62300465) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid
PubChem CID62300465
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(Cn2ccc3ccc(F)cc32)O1
InChIInChI=1S/C14H14FNO3/c15-10-2-1-9-5-6-16(12(9)7-10)8-11-3-4-13(19-11)14(17)18/h1-2,5-7,11,13H,3-4,8H2,(H,17,18)
InChIKeyJFFXAXQDLCTCSO-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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Related Compounds

Chaetoindolone B
CID 156582043
1-(2-Deoxy-|A-D-erythro-pentofuranosyl)-5-fluoro-1H-indole
CID 66738120
1'-Ethylascorbigen
CID 3081629
(2R,3R,4S,5R)-2-(6-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 21140569
(2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102082487
(2R,3R,4S,5R)-2-(4-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102082490
(2R,3R,4S,5R)-2-(4,6-difluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102082491
(2R,3R,4S,5R)-2-(5-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102082492
Ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate
CID 138975691
Ethyl 2-(5,6-difluoroindol-1-yl)-2-hydroxyacetate
CID 138975833
Ethyl 2-(5-fluoroindol-1-yl)-2-hydroxyacetate
CID 138976171
3-(3'-Indolyl) lactic acid
CID 54769707

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid (CID 62300465) is 5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(Cn2ccc3ccc(F)cc32)O1.
What is the InChIKey of 5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is JFFXAXQDLCTCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-10-2-1-9-5-6-16(12(9)7-10)8-11-3-4-13(19-11)14(17)18/h1-2,5-7,11,13H,3-4,8H2,(H,17,18).
What are the key properties of 5-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid?
5-[(6-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-[(6-fluoroindol-1-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62300465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).