sodium 2-(3-fluoro-4-phenylphenyl)propanoate

C15H12FNaO2 — CID 23684814

IUPACsodium 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1.[Na+]
InChIInChI=1S/C15H13FO2.Na/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2-10H,1H3,(H,17,18);/q;+1/p-1
InChIKeyAUAGTGKMTMVIKN-UHFFFAOYSA-M
MW266.25 g/mol
LogP-0.65
Rot. Bonds3

About sodium 2-(3-fluoro-4-phenylphenyl)propanoate

sodium 2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 23684814) has the molecular formula C15H12FNaO2 and a molecular weight of 266.25 g/mol. Its IUPAC name is sodium 2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Namesodium 2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID23684814
Molecular FormulaC15H12FNaO2
Molecular Weight266.25 g/mol
Exact Mass266.07
IUPAC Namesodium 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1.[Na+]
InChIInChI=1S/C15H13FO2.Na/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2-10H,1H3,(H,17,18);/q;+1/p-1
InChIKeyAUAGTGKMTMVIKN-UHFFFAOYSA-M
XLogP-0.65
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of sodium 2-(3-fluoro-4-phenylphenyl)propanoate (CID 23684814) is sodium 2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for sodium 2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for sodium 2-(3-fluoro-4-phenylphenyl)propanoate is CC(C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1.[Na+].
What is the InChIKey of sodium 2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is AUAGTGKMTMVIKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13FO2.Na/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2-10H,1H3,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 2-(3-fluoro-4-phenylphenyl)propanoate?
sodium 2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 266.25 g/mol, XLogP of -0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 23684814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).