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'}

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Related Compounds

4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile
CID 97941
alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440
2-[4-(Trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
CID 11818146
Trimethylsiloxy 4-chlorophenylacetonitrile
CID 10776410
Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
4-Chloro-gamma-methoxybenzenebutyronitrile
CID 97936
2-Chloro-6-fluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91735268
(2R)-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
CID 121003669
4,4-Difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile
CID 135044106
1-(4-Chlorophenyl)-3,3-difluoro-3-trimethylsilylpropan-1-ol
CID 178337823
(2S)-2-(4-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 11536034
(2-Chloro-phenyl)-trimethylsilanyloxy-acetonitrile
CID 11413764

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).