4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid

C18H15F3O4 — CID 59492679

IUPAC4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
SMILESO=C(O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H15F3O4/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-8-7-11(10-15(13)17)25-9-3-6-16(22)23/h1-2,4-5,7-8,10,24H,3,6,9H2,(H,22,23)
InChIKeyGDXNQXWAWPRUDW-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.71
Rot. Bonds5

About 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid

4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid (PubChem CID 59492679) has the molecular formula C18H15F3O4 and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid.

Molecular Properties

Compound Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
PubChem CID59492679
Molecular FormulaC18H15F3O4
Molecular Weight352.31 g/mol
Exact Mass352.09
IUPAC Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
SMILESO=C(O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H15F3O4/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-8-7-11(10-15(13)17)25-9-3-6-16(22)23/h1-2,4-5,7-8,10,24H,3,6,9H2,(H,22,23)
InChIKeyGDXNQXWAWPRUDW-UHFFFAOYSA-N
XLogP3.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid?
The IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid (CID 59492679) is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid.
What is the SMILES notation for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid?
The canonical SMILES for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid is O=C(O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid?
The InChIKey is GDXNQXWAWPRUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O4/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-8-7-11(10-15(13)17)25-9-3-6-16(22)23/h1-2,4-5,7-8,10,24H,3,6,9H2,(H,22,23).
What are the key properties of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid?
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid has a molecular weight of 352.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid is sourced from PubChem (CID 59492679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).