4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile

C14H19F2NOSi — CID 135044106

IUPAC4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile
SMILESC[Si](C)(C)OC(c1ccccc1)C(F)(F)CCC#N
InChIInChI=1S/C14H19F2NOSi/c1-19(2,3)18-13(12-8-5-4-6-9-12)14(15,16)10-7-11-17/h4-6,8-9,13H,7,10H2,1-3H3
InChIKeyUGGRLWKCQKPCIE-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.52
Rot. Bonds6

About 4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile

4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile (PubChem CID 135044106) has the molecular formula C14H19F2NOSi and a molecular weight of 283.39 g/mol. Its IUPAC name is 4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile.

Molecular Properties

Compound Name4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile
PubChem CID135044106
Molecular FormulaC14H19F2NOSi
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile
SMILESC[Si](C)(C)OC(c1ccccc1)C(F)(F)CCC#N
InChIInChI=1S/C14H19F2NOSi/c1-19(2,3)18-13(12-8-5-4-6-9-12)14(15,16)10-7-11-17/h4-6,8-9,13H,7,10H2,1-3H3
InChIKeyUGGRLWKCQKPCIE-UHFFFAOYSA-N
XLogP4.52
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.52
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

2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
Methoxyphenyl(trifluoromethyl)acetonitrile
CID 589652
2-(3-Fluorophenyl)-2-methoxyacetonitrile
CID 66070705
2,2-Difluoro-1-phenyl-1-trimethylsiloxyethene
CID 10889667
2,2,2-Trifluoro-1-phenylethyl trimethylsilyl ether
CID 11218868
Silane, trimethyl(1-phenylethoxy)-
CID 519015
1-Propanol, 1-phenyl, TMS
CID 530376
2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
2-(4-Fluorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
CID 11715552
2-[4-(Trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
CID 11818146
2-Fluorophenyl(trimethylsilyloxy)acetonitrile
CID 11955040
(2,2-Difluoro-1-phenylethenoxy)-triethylsilane
CID 86202288

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile?
The IUPAC name of 4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile (CID 135044106) is 4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile.
What is the SMILES notation for 4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile?
The canonical SMILES for 4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile is C[Si](C)(C)OC(c1ccccc1)C(F)(F)CCC#N.
What is the InChIKey of 4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile?
The InChIKey is UGGRLWKCQKPCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOSi/c1-19(2,3)18-13(12-8-5-4-6-9-12)14(15,16)10-7-11-17/h4-6,8-9,13H,7,10H2,1-3H3.
What are the key properties of 4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile?
4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile has a molecular weight of 283.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-phenyl-5-trimethylsilyloxypentanenitrile is sourced from PubChem (CID 135044106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).