[4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane

C15H20ClFOSi — CID 66706273

IUPAC[4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CCC(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H20ClFOSi/c1-19(2,3)18-13-7-4-11(5-8-13)14-9-6-12(17)10-15(14)16/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyXMFQQDVGPIVHKJ-UHFFFAOYSA-N
MW298.86 g/mol
LogP5.48
Rot. Bonds3

About [4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane

[4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 66706273) has the molecular formula C15H20ClFOSi and a molecular weight of 298.86 g/mol. Its IUPAC name is [4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane
PubChem CID66706273
Molecular FormulaC15H20ClFOSi
Molecular Weight298.86 g/mol
Exact Mass298.10
IUPAC Name[4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CCC(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H20ClFOSi/c1-19(2,3)18-13-7-4-11(5-8-13)14-9-6-12(17)10-15(14)16/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyXMFQQDVGPIVHKJ-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.86
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane (CID 66706273) is [4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane is C[Si](C)(C)OC1=CCC(c2ccc(F)cc2Cl)CC1.
What is the InChIKey of [4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is XMFQQDVGPIVHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFOSi/c1-19(2,3)18-13-7-4-11(5-8-13)14-9-6-12(17)10-15(14)16/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of [4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane?
[4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 298.86 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4-fluorophenyl)cyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 66706273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).