3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid

C17H15FO3 — CID 79369046

IUPAC3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid
SMILESCC(O)(c1ccc2c(c1)Cc1ccccc1-2)C(F)C(=O)O
InChIInChI=1S/C17H15FO3/c1-17(21,15(18)16(19)20)12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)14/h2-7,9,15,21H,8H2,1H3,(H,19,20)
InChIKeyRNHBHXIJPIDNKX-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.89
Rot. Bonds3

About 3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid

3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid (PubChem CID 79369046) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid.

Molecular Properties

Compound Name3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid
PubChem CID79369046
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid
SMILESCC(O)(c1ccc2c(c1)Cc1ccccc1-2)C(F)C(=O)O
InChIInChI=1S/C17H15FO3/c1-17(21,15(18)16(19)20)12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)14/h2-7,9,15,21H,8H2,1H3,(H,19,20)
InChIKeyRNHBHXIJPIDNKX-UHFFFAOYSA-N
XLogP2.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid?
The IUPAC name of 3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid (CID 79369046) is 3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid.
What is the SMILES notation for 3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid?
The canonical SMILES for 3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid is CC(O)(c1ccc2c(c1)Cc1ccccc1-2)C(F)C(=O)O.
What is the InChIKey of 3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid?
The InChIKey is RNHBHXIJPIDNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-17(21,15(18)16(19)20)12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)14/h2-7,9,15,21H,8H2,1H3,(H,19,20).
What are the key properties of 3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid?
3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid has a molecular weight of 286.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid is sourced from PubChem (CID 79369046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).