sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride

C16H16FNaO5 — CID 173161937

IUPACsodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
SMILESCC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1.O=C(O)O.[H-].[Na+]
InChIInChI=1S/C15H13FO2.CH2O3.Na.H/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;2-1(3)4;;/h2-10H,1H3,(H,17,18);(H2,2,3,4);;/q;;+1;-1
InChIKeyKGDVRYOJWQCOHK-UHFFFAOYSA-N
MW330.29 g/mol
LogP1.02
Rot. Bonds3

About sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride

sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride (PubChem CID 173161937) has the molecular formula C16H16FNaO5 and a molecular weight of 330.29 g/mol. Its IUPAC name is sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride.

Molecular Properties

Compound Namesodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
PubChem CID173161937
Molecular FormulaC16H16FNaO5
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Namesodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
SMILESCC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1.O=C(O)O.[H-].[Na+]
InChIInChI=1S/C15H13FO2.CH2O3.Na.H/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;2-1(3)4;;/h2-10H,1H3,(H,17,18);(H2,2,3,4);;/q;;+1;-1
InChIKeyKGDVRYOJWQCOHK-UHFFFAOYSA-N
XLogP1.02
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
1-bromopentane;2-(3-fluoro-4-phenylphenyl)propanoic acid
CID 174803768
2-[4-(3-chlorophenyl)-3-fluorophenyl]propanoic acid
CID 11572691
(2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid;(2S)-3-methyl-2-phenylbutan-1-amine;sulfane
CID 160716259
5-(3-fluoro-4-phenylphenyl)-4-oxohexanoic acid
CID 19785566
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
(dibenzylamino) (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 87119000
5-chloro-2-(3-fluoro-4-phenylphenyl)hexan-3-one
CID 143928439
2,6-diaminohexanoate;2-(3-fluoro-4-phenylphenyl)propanoic acid
CID 19765938
(2S)-2-amino-2-(3-fluoro-4-phenylphenyl)acetic acid
CID 135292614
2-chloro-2-(3-fluoro-4-phenylphenyl)acetic acid
CID 163851798

Frequently Asked Questions

What is the IUPAC name of sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride?
The IUPAC name of sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride (CID 173161937) is sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride.
What is the SMILES notation for sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride?
The canonical SMILES for sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride is CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1.O=C(O)O.[H-].[Na+].
What is the InChIKey of sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride?
The InChIKey is KGDVRYOJWQCOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2.CH2O3.Na.H/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;2-1(3)4;;/h2-10H,1H3,(H,17,18);(H2,2,3,4);;/q;;+1;-1.
What are the key properties of sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride?
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride has a molecular weight of 330.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride is sourced from PubChem (CID 173161937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).