9-(4-fluorophenoxy)nonanoic acid

C15H21FO3 — CID 66875133

IUPAC9-(4-fluorophenoxy)nonanoic acid
SMILESO=C(O)CCCCCCCCOc1ccc(F)cc1
InChIInChI=1S/C15H21FO3/c16-13-8-10-14(11-9-13)19-12-6-4-2-1-3-5-7-15(17)18/h8-11H,1-7,12H2,(H,17,18)
InChIKeyAWIYSANRMJGJQF-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.02
Rot. Bonds10

About 9-(4-fluorophenoxy)nonanoic acid

9-(4-fluorophenoxy)nonanoic acid (PubChem CID 66875133) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 9-(4-fluorophenoxy)nonanoic acid.

Molecular Properties

Compound Name9-(4-fluorophenoxy)nonanoic acid
PubChem CID66875133
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name9-(4-fluorophenoxy)nonanoic acid
SMILESO=C(O)CCCCCCCCOc1ccc(F)cc1
InChIInChI=1S/C15H21FO3/c16-13-8-10-14(11-9-13)19-12-6-4-2-1-3-5-7-15(17)18/h8-11H,1-7,12H2,(H,17,18)
InChIKeyAWIYSANRMJGJQF-UHFFFAOYSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.02
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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Related Compounds

6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
9-phenoxynonanoic acid
CID 15887638
4-(7-carboxyheptoxy)benzoic acid
CID 54128004
6-(4-aminophenoxy)hexanoic acid
CID 3028577
6-(4-fluorophenoxy)hexan-2-one
CID 43793627
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
5-(4-iodophenoxy)pentanoic acid
CID 22915460
6-(4-cyanophenoxy)hexanoic acid
CID 22388922
7-(4-formylphenoxy)heptanoic acid
CID 169448959
5-(4-fluorophenoxy)-2-oxopentanoic acid
CID 57302572
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenoxy)nonanoic acid?
The IUPAC name of 9-(4-fluorophenoxy)nonanoic acid (CID 66875133) is 9-(4-fluorophenoxy)nonanoic acid.
What is the SMILES notation for 9-(4-fluorophenoxy)nonanoic acid?
The canonical SMILES for 9-(4-fluorophenoxy)nonanoic acid is O=C(O)CCCCCCCCOc1ccc(F)cc1.
What is the InChIKey of 9-(4-fluorophenoxy)nonanoic acid?
The InChIKey is AWIYSANRMJGJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c16-13-8-10-14(11-9-13)19-12-6-4-2-1-3-5-7-15(17)18/h8-11H,1-7,12H2,(H,17,18).
What are the key properties of 9-(4-fluorophenoxy)nonanoic acid?
9-(4-fluorophenoxy)nonanoic acid has a molecular weight of 268.33 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenoxy)nonanoic acid is sourced from PubChem (CID 66875133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).