3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid

C15H23FO2Si — CID 24826465

IUPAC3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid
SMILESCC(C)[Si]([18F])(c1ccc(CCC(=O)O)cc1)C(C)C
InChIInChI=1S/C15H23FO2Si/c1-11(2)19(16,12(3)4)14-8-5-13(6-9-14)7-10-15(17)18/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,17,18)/i16-1
InChIKeyFSMTUBACOFHPKX-GKTGUEEDSA-N
MW281.43 g/mol
LogP3.65
Rot. Bonds6

About 3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid

3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid (PubChem CID 24826465) has the molecular formula C15H23FO2Si and a molecular weight of 281.43 g/mol. Its IUPAC name is 3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid
PubChem CID24826465
Molecular FormulaC15H23FO2Si
Molecular Weight281.43 g/mol
Exact Mass281.15
IUPAC Name3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid
SMILESCC(C)[Si]([18F])(c1ccc(CCC(=O)O)cc1)C(C)C
InChIInChI=1S/C15H23FO2Si/c1-11(2)19(16,12(3)4)14-8-5-13(6-9-14)7-10-15(17)18/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,17,18)/i16-1
InChIKeyFSMTUBACOFHPKX-GKTGUEEDSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
[4-(2-carboxyethyl)phenyl]-di(propan-2-yl)sulfanium
CID 143652387
3-[4-(3-methoxybutyl)phenyl]propanoic acid
CID 117114845
3-[4-(3-methylbutanoyl)phenyl]propanoic acid
CID 94686145
3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid
CID 91363751
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-[4-(1-hydroxypropyl)phenyl]propanoic acid
CID 105461698
3-[4-[2-(methylamino)propanoylamino]phenyl]propanoic acid
CID 115339976
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
4-(2-carboxyethyl)phenolate
CID 101364536
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid (CID 24826465) is 3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid is CC(C)[Si]([18F])(c1ccc(CCC(=O)O)cc1)C(C)C.
What is the InChIKey of 3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid?
The InChIKey is FSMTUBACOFHPKX-GKTGUEEDSA-N. The full InChI is InChI=1S/C15H23FO2Si/c1-11(2)19(16,12(3)4)14-8-5-13(6-9-14)7-10-15(17)18/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,17,18)/i16-1.
What are the key properties of 3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid?
3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid has a molecular weight of 281.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid is sourced from PubChem (CID 24826465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).