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

C18H14ClF3O4 — CID 59492709

IUPAC4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
SMILESO=C(O)CCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H14ClF3O4/c19-14-9-10(26-7-3-6-15(23)24)8-13-16(14)11-4-1-2-5-12(11)17(13,25)18(20,21)22/h1-2,4-5,8-9,25H,3,6-7H2,(H,23,24)
InChIKeyLQPYVMZXAKJSNL-UHFFFAOYSA-N
MW386.75 g/mol
LogP4.36
Rot. Bonds5

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

4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid (PubChem CID 59492709) has the molecular formula C18H14ClF3O4 and a molecular weight of 386.75 g/mol. Its IUPAC name is 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid.

Molecular Properties

Compound Name4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
PubChem CID59492709
Molecular FormulaC18H14ClF3O4
Molecular Weight386.75 g/mol
Exact Mass386.05
IUPAC Name4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
SMILESO=C(O)CCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H14ClF3O4/c19-14-9-10(26-7-3-6-15(23)24)8-13-16(14)11-4-1-2-5-12(11)17(13,25)18(20,21)22/h1-2,4-5,8-9,25H,3,6-7H2,(H,23,24)
InChIKeyLQPYVMZXAKJSNL-UHFFFAOYSA-N
XLogP4.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.75
LogP ≤ 54.36
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-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid?
The IUPAC name of 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid (CID 59492709) is 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid.
What is the SMILES notation for 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid?
The canonical SMILES for 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid is O=C(O)CCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid?
The InChIKey is LQPYVMZXAKJSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3O4/c19-14-9-10(26-7-3-6-15(23)24)8-13-16(14)11-4-1-2-5-12(11)17(13,25)18(20,21)22/h1-2,4-5,8-9,25H,3,6-7H2,(H,23,24).
What are the key properties of 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid?
4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid has a molecular weight of 386.75 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid is sourced from PubChem (CID 59492709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).