4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile

C13H17ClFNOSi — CID 91735268

IUPAC4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile
SMILESC[Si](C)(CCCC#N)OCc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNOSi/c1-18(2,9-4-3-8-16)17-10-11-12(14)6-5-7-13(11)15/h5-7H,3-4,9-10H2,1-2H3
InChIKeyMQTNSZGIIYGQLJ-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.50
Rot. Bonds6

About 4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile

4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile (PubChem CID 91735268) has the molecular formula C13H17ClFNOSi and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile
PubChem CID91735268
Molecular FormulaC13H17ClFNOSi
Molecular Weight285.82 g/mol
Exact Mass285.08
IUPAC Name4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile
SMILESC[Si](C)(CCCC#N)OCc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNOSi/c1-18(2,9-4-3-8-16)17-10-11-12(14)6-5-7-13(11)15/h5-7H,3-4,9-10H2,1-2H3
InChIKeyMQTNSZGIIYGQLJ-UHFFFAOYSA-N
XLogP4.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile (CID 91735268) is 4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile is C[Si](C)(CCCC#N)OCc1c(F)cccc1Cl.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile?
The InChIKey is MQTNSZGIIYGQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNOSi/c1-18(2,9-4-3-8-16)17-10-11-12(14)6-5-7-13(11)15/h5-7H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile?
4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile has a molecular weight of 285.82 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methoxy-dimethylsilyl]butanenitrile is sourced from PubChem (CID 91735268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).