(Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid

C13H17FO2Si — CID 102370786

IUPAC(Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid
SMILESC[Si](C)(C)/C=C(/CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2Si/c1-17(2,3)9-11(8-13(15)16)10-4-6-12(14)7-5-10/h4-7,9H,8H2,1-3H3,(H,15,16)/b11-9-
InChIKeyLZARSXKRCOBHEK-LUAWRHEFSA-N
MW252.36 g/mol
LogP3.56
Rot. Bonds4

About (Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid

(Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid (PubChem CID 102370786) has the molecular formula C13H17FO2Si and a molecular weight of 252.36 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid
PubChem CID102370786
Molecular FormulaC13H17FO2Si
Molecular Weight252.36 g/mol
Exact Mass252.10
IUPAC Name(Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid
SMILESC[Si](C)(C)/C=C(/CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2Si/c1-17(2,3)9-11(8-13(15)16)10-4-6-12(14)7-5-10/h4-7,9H,8H2,1-3H3,(H,15,16)/b11-9-
InChIKeyLZARSXKRCOBHEK-LUAWRHEFSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid
CID 67991573
1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
CID 2801867
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100437
2-(4-fluorophenyl)-4-oxopent-2-enoic acid
CID 142782295
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730
4-fluorobenzohydrazide
CID 9972
(Z)-1-(4-fluorophenyl)-N-trimethylsilylprop-1-en-1-amine
CID 134932620
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
[(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane
CID 67991543

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid?
The IUPAC name of (Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid (CID 102370786) is (Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid is C[Si](C)(C)/C=C(/CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid?
The InChIKey is LZARSXKRCOBHEK-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H17FO2Si/c1-17(2,3)9-11(8-13(15)16)10-4-6-12(14)7-5-10/h4-7,9H,8H2,1-3H3,(H,15,16)/b11-9-.
What are the key properties of (Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid?
(Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid has a molecular weight of 252.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid is sourced from PubChem (CID 102370786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).