4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile

C14H20FNOSi — CID 154450686

IUPAC4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile
SMILESCCCCC(O[SiH](C)C)c1ccc(C#N)c(F)c1
InChIInChI=1S/C14H20FNOSi/c1-4-5-6-14(17-18(2)3)11-7-8-12(10-16)13(15)9-11/h7-9,14,18H,4-6H2,1-3H3
InChIKeyOYJWRTLPXIZCET-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.93
Rot. Bonds6

About 4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile

4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile (PubChem CID 154450686) has the molecular formula C14H20FNOSi and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile
PubChem CID154450686
Molecular FormulaC14H20FNOSi
Molecular Weight265.40 g/mol
Exact Mass265.13
IUPAC Name4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile
SMILESCCCCC(O[SiH](C)C)c1ccc(C#N)c(F)c1
InChIInChI=1S/C14H20FNOSi/c1-4-5-6-14(17-18(2)3)11-7-8-12(10-16)13(15)9-11/h7-9,14,18H,4-6H2,1-3H3
InChIKeyOYJWRTLPXIZCET-UHFFFAOYSA-N
XLogP3.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.93
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
3-Fluoro-4-(1-hydroxyethyl)benzonitrile
CID 130733695
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
4-[(2R,4S)-4-fluoro-4-methyloxan-2-yl]benzonitrile
CID 146168871
(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-phenylacetonitrile
CID 5325032
2-[Tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
CID 10610516
3-Phenyl-3-trimethylsilyloxypropanenitrile
CID 10987773
3,4,5-Trifluorobenzyl alcohol, dimethil(3-cyanopropylsilyl) ether
CID 91719188
2,5-Difluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91733142

Frequently Asked Questions

What is the IUPAC name of 4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile?
The IUPAC name of 4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile (CID 154450686) is 4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile is CCCCC(O[SiH](C)C)c1ccc(C#N)c(F)c1.
What is the InChIKey of 4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile?
The InChIKey is OYJWRTLPXIZCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOSi/c1-4-5-6-14(17-18(2)3)11-7-8-12(10-16)13(15)9-11/h7-9,14,18H,4-6H2,1-3H3.
What are the key properties of 4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile?
4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile has a molecular weight of 265.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dimethylsilyloxypentyl)-2-fluorobenzonitrile is sourced from PubChem (CID 154450686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).