5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile

C14H18ClF2NOSi — CID 132933293

IUPAC5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile
SMILESC[Si](C)(C)OC(c1ccc(Cl)cc1)C(F)(F)CCC#N
InChIInChI=1S/C14H18ClF2NOSi/c1-20(2,3)19-13(14(16,17)9-4-10-18)11-5-7-12(15)8-6-11/h5-8,13H,4,9H2,1-3H3
InChIKeySTVVMCDDTCDIMQ-UHFFFAOYSA-N
MW317.84 g/mol
LogP5.17
Rot. Bonds6

About 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile

5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile (PubChem CID 132933293) has the molecular formula C14H18ClF2NOSi and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile
PubChem CID132933293
Molecular FormulaC14H18ClF2NOSi
Molecular Weight317.84 g/mol
Exact Mass317.08
IUPAC Name5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile
SMILESC[Si](C)(C)OC(c1ccc(Cl)cc1)C(F)(F)CCC#N
InChIInChI=1S/C14H18ClF2NOSi/c1-20(2,3)19-13(14(16,17)9-4-10-18)11-5-7-12(15)8-6-11/h5-8,13H,4,9H2,1-3H3
InChIKeySTVVMCDDTCDIMQ-UHFFFAOYSA-N
XLogP5.17
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.84
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile?
The IUPAC name of 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile (CID 132933293) is 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile?
The canonical SMILES for 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile is C[Si](C)(C)OC(c1ccc(Cl)cc1)C(F)(F)CCC#N.
What is the InChIKey of 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile?
The InChIKey is STVVMCDDTCDIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NOSi/c1-20(2,3)19-13(14(16,17)9-4-10-18)11-5-7-12(15)8-6-11/h5-8,13H,4,9H2,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile?
5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile has a molecular weight of 317.84 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4,4-difluoro-5-trimethylsilyloxypentanenitrile is sourced from PubChem (CID 132933293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).