3-(2-fluorophenoxy)nonanoic acid

C15H21FO3 — CID 141243279

IUPAC3-(2-fluorophenoxy)nonanoic acid
SMILESCCCCCCC(CC(=O)O)Oc1ccccc1F
InChIInChI=1S/C15H21FO3/c1-2-3-4-5-8-12(11-15(17)18)19-14-10-7-6-9-13(14)16/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,17,18)
InChIKeyOBULHXFCZJBZJY-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.02
Rot. Bonds9

About 3-(2-fluorophenoxy)nonanoic acid

3-(2-fluorophenoxy)nonanoic acid (PubChem CID 141243279) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)nonanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenoxy)nonanoic acid
PubChem CID141243279
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name3-(2-fluorophenoxy)nonanoic acid
SMILESCCCCCCC(CC(=O)O)Oc1ccccc1F
InChIInChI=1S/C15H21FO3/c1-2-3-4-5-8-12(11-15(17)18)19-14-10-7-6-9-13(14)16/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,17,18)
InChIKeyOBULHXFCZJBZJY-UHFFFAOYSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
2-tetradecan-5-yloxybenzoic acid
CID 54162173
3-(3,4-dihydroxyphenoxy)nonadecanoic acid
CID 139673022
(3S)-3-(phenylmethoxymethoxy)tetradecanoic acid
CID 56629457
N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119668887
1,2-di(octan-3-yloxy)benzene
CID 168861859
3-methoxynonanoic acid
CID 139673009
(E)-3-(2-octadecan-3-yloxyphenyl)prop-2-enoic acid
CID 67842943
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
CID 107563253
13-acetyloxy-3-phenylmethoxyoctadecanoic acid
CID 101300677
3-acetyloxy-6-phenylmethoxyoctadecanoic acid
CID 101300759

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)nonanoic acid?
The IUPAC name of 3-(2-fluorophenoxy)nonanoic acid (CID 141243279) is 3-(2-fluorophenoxy)nonanoic acid.
What is the SMILES notation for 3-(2-fluorophenoxy)nonanoic acid?
The canonical SMILES for 3-(2-fluorophenoxy)nonanoic acid is CCCCCCC(CC(=O)O)Oc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenoxy)nonanoic acid?
The InChIKey is OBULHXFCZJBZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-2-3-4-5-8-12(11-15(17)18)19-14-10-7-6-9-13(14)16/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,17,18).
What are the key properties of 3-(2-fluorophenoxy)nonanoic acid?
3-(2-fluorophenoxy)nonanoic acid has a molecular weight of 268.33 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)nonanoic acid is sourced from PubChem (CID 141243279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).