[4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate

C23H35FO2Si — CID 123905203

IUPAC[4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate
SMILESCCCc1ccc(C2CC[SiH](C3CCC(OC(=O)CCF)CC3)CC2)cc1
InChIInChI=1S/C23H35FO2Si/c1-2-3-18-4-6-19(7-5-18)20-13-16-27(17-14-20)22-10-8-21(9-11-22)26-23(25)12-15-24/h4-7,20-22,27H,2-3,8-17H2,1H3
InChIKeyCHPGPKGOMFEHJJ-UHFFFAOYSA-N
MW390.62 g/mol
LogP5.96
Rot. Bonds7

About [4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate

[4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate (PubChem CID 123905203) has the molecular formula C23H35FO2Si and a molecular weight of 390.62 g/mol. Its IUPAC name is [4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate.

Molecular Properties

Compound Name[4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate
PubChem CID123905203
Molecular FormulaC23H35FO2Si
Molecular Weight390.62 g/mol
Exact Mass390.24
IUPAC Name[4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate
SMILESCCCc1ccc(C2CC[SiH](C3CCC(OC(=O)CCF)CC3)CC2)cc1
InChIInChI=1S/C23H35FO2Si/c1-2-3-18-4-6-19(7-5-18)20-13-16-27(17-14-20)22-10-8-21(9-11-22)26-23(25)12-15-24/h4-7,20-22,27H,2-3,8-17H2,1H3
InChIKeyCHPGPKGOMFEHJJ-UHFFFAOYSA-N
XLogP5.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.62
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate?
The IUPAC name of [4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate (CID 123905203) is [4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate.
What is the SMILES notation for [4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate?
The canonical SMILES for [4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate is CCCc1ccc(C2CC[SiH](C3CCC(OC(=O)CCF)CC3)CC2)cc1.
What is the InChIKey of [4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate?
The InChIKey is CHPGPKGOMFEHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FO2Si/c1-2-3-18-4-6-19(7-5-18)20-13-16-27(17-14-20)22-10-8-21(9-11-22)26-23(25)12-15-24/h4-7,20-22,27H,2-3,8-17H2,1H3.
What are the key properties of [4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate?
[4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate has a molecular weight of 390.62 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-propylphenyl)silinan-1-yl]cyclohexyl] 3-fluoropropanoate is sourced from PubChem (CID 123905203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).