3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid

C17H16FNO2 — CID 19348372

IUPAC3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid
SMILESO=C(O)CCC1c2ccccc2NC1c1ccccc1F
InChIInChI=1S/C17H16FNO2/c18-14-7-3-1-6-13(14)17-12(9-10-16(20)21)11-5-2-4-8-15(11)19-17/h1-8,12,17,19H,9-10H2,(H,20,21)
InChIKeyFCNSKWGIFLHSLO-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.94
Rot. Bonds4

About 3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid

3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid (PubChem CID 19348372) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid
PubChem CID19348372
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid
SMILESO=C(O)CCC1c2ccccc2NC1c1ccccc1F
InChIInChI=1S/C17H16FNO2/c18-14-7-3-1-6-13(14)17-12(9-10-16(20)21)11-5-2-4-8-15(11)19-17/h1-8,12,17,19H,9-10H2,(H,20,21)
InChIKeyFCNSKWGIFLHSLO-UHFFFAOYSA-N
XLogP3.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid?
The IUPAC name of 3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid (CID 19348372) is 3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid is O=C(O)CCC1c2ccccc2NC1c1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid?
The InChIKey is FCNSKWGIFLHSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-14-7-3-1-6-13(14)17-12(9-10-16(20)21)11-5-2-4-8-15(11)19-17/h1-8,12,17,19H,9-10H2,(H,20,21).
What are the key properties of 3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid?
3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid has a molecular weight of 285.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-2,3-dihydro-1H-indol-3-yl]propanoic acid is sourced from PubChem (CID 19348372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).