5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid

C14H19FO3 — CID 59134726

IUPAC5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid
SMILESCC(C)c1ccc(F)c(OCCCCC(=O)O)c1
InChIInChI=1S/C14H19FO3/c1-10(2)11-6-7-12(15)13(9-11)18-8-4-3-5-14(16)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyHQRUZLXZFJECSP-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.58
Rot. Bonds7

About 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid

5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid (PubChem CID 59134726) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid.

Molecular Properties

Compound Name5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid
PubChem CID59134726
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid
SMILESCC(C)c1ccc(F)c(OCCCCC(=O)O)c1
InChIInChI=1S/C14H19FO3/c1-10(2)11-6-7-12(15)13(9-11)18-8-4-3-5-14(16)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyHQRUZLXZFJECSP-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid?
The IUPAC name of 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid (CID 59134726) is 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid.
What is the SMILES notation for 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid?
The canonical SMILES for 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid is CC(C)c1ccc(F)c(OCCCCC(=O)O)c1.
What is the InChIKey of 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid?
The InChIKey is HQRUZLXZFJECSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-10(2)11-6-7-12(15)13(9-11)18-8-4-3-5-14(16)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid?
5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid has a molecular weight of 254.30 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid is sourced from PubChem (CID 59134726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).