2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid

C14H17FO3 — CID 83069818

IUPAC2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)C1(O)CCc2c(F)cccc21
InChIInChI=1S/C14H17FO3/c1-2-4-11(13(16)17)14(18)8-7-9-10(14)5-3-6-12(9)15/h3,5-6,11,18H,2,4,7-8H2,1H3,(H,16,17)
InChIKeyQRWMJUAVLYKTQH-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid

2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid (PubChem CID 83069818) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid
PubChem CID83069818
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)C1(O)CCc2c(F)cccc21
InChIInChI=1S/C14H17FO3/c1-2-4-11(13(16)17)14(18)8-7-9-10(14)5-3-6-12(9)15/h3,5-6,11,18H,2,4,7-8H2,1H3,(H,16,17)
InChIKeyQRWMJUAVLYKTQH-UHFFFAOYSA-N
XLogP2.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid?
The IUPAC name of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid (CID 83069818) is 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid.
What is the SMILES notation for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid?
The canonical SMILES for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid is CCCC(C(=O)O)C1(O)CCc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid?
The InChIKey is QRWMJUAVLYKTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-2-4-11(13(16)17)14(18)8-7-9-10(14)5-3-6-12(9)15/h3,5-6,11,18H,2,4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid?
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid has a molecular weight of 252.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid is sourced from PubChem (CID 83069818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).