1-(4-fluoropentyl)-1-phenylsilinan-4-one

C16H23FOSi — CID 19593776

IUPAC1-(4-fluoropentyl)-1-phenylsilinan-4-one
SMILESCC(F)CCC[Si]1(c2ccccc2)CCC(=O)CC1
InChIInChI=1S/C16H23FOSi/c1-14(17)6-5-11-19(12-9-15(18)10-13-19)16-7-3-2-4-8-16/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKeyDGXOVZQCLWSHAH-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-fluoropentyl)-1-phenylsilinan-4-one

1-(4-fluoropentyl)-1-phenylsilinan-4-one (PubChem CID 19593776) has the molecular formula C16H23FOSi and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4-fluoropentyl)-1-phenylsilinan-4-one.

Molecular Properties

Compound Name1-(4-fluoropentyl)-1-phenylsilinan-4-one
PubChem CID19593776
Molecular FormulaC16H23FOSi
Molecular Weight278.44 g/mol
Exact Mass278.15
IUPAC Name1-(4-fluoropentyl)-1-phenylsilinan-4-one
SMILESCC(F)CCC[Si]1(c2ccccc2)CCC(=O)CC1
InChIInChI=1S/C16H23FOSi/c1-14(17)6-5-11-19(12-9-15(18)10-13-19)16-7-3-2-4-8-16/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKeyDGXOVZQCLWSHAH-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(4-fluoropentyl)-1-phenylsilinan-4-one?
The IUPAC name of 1-(4-fluoropentyl)-1-phenylsilinan-4-one (CID 19593776) is 1-(4-fluoropentyl)-1-phenylsilinan-4-one.
What is the SMILES notation for 1-(4-fluoropentyl)-1-phenylsilinan-4-one?
The canonical SMILES for 1-(4-fluoropentyl)-1-phenylsilinan-4-one is CC(F)CCC[Si]1(c2ccccc2)CCC(=O)CC1.
What is the InChIKey of 1-(4-fluoropentyl)-1-phenylsilinan-4-one?
The InChIKey is DGXOVZQCLWSHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FOSi/c1-14(17)6-5-11-19(12-9-15(18)10-13-19)16-7-3-2-4-8-16/h2-4,7-8,14H,5-6,9-13H2,1H3.
What are the key properties of 1-(4-fluoropentyl)-1-phenylsilinan-4-one?
1-(4-fluoropentyl)-1-phenylsilinan-4-one has a molecular weight of 278.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropentyl)-1-phenylsilinan-4-one is sourced from PubChem (CID 19593776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).