2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane

C11H17ClF2N2O2Si — CID 178112097

IUPAC2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane
SMILESC[Si](C)(C)CCOc1nc(Cl)ncc1OCC(F)F
InChIInChI=1S/C11H17ClF2N2O2Si/c1-19(2,3)5-4-17-10-8(18-7-9(13)14)6-15-11(12)16-10/h6,9H,4-5,7H2,1-3H3
InChIKeyLNZYTPOGPYSOJO-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.49
Rot. Bonds7

About 2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane

2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane (PubChem CID 178112097) has the molecular formula C11H17ClF2N2O2Si and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane
PubChem CID178112097
Molecular FormulaC11H17ClF2N2O2Si
Molecular Weight310.80 g/mol
Exact Mass310.07
IUPAC Name2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane
SMILESC[Si](C)(C)CCOc1nc(Cl)ncc1OCC(F)F
InChIInChI=1S/C11H17ClF2N2O2Si/c1-19(2,3)5-4-17-10-8(18-7-9(13)14)6-15-11(12)16-10/h6,9H,4-5,7H2,1-3H3
InChIKeyLNZYTPOGPYSOJO-UHFFFAOYSA-N
XLogP3.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane?
The IUPAC name of 2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane (CID 178112097) is 2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane.
What is the SMILES notation for 2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane?
The canonical SMILES for 2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane is C[Si](C)(C)CCOc1nc(Cl)ncc1OCC(F)F.
What is the InChIKey of 2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane?
The InChIKey is LNZYTPOGPYSOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF2N2O2Si/c1-19(2,3)5-4-17-10-8(18-7-9(13)14)6-15-11(12)16-10/h6,9H,4-5,7H2,1-3H3.
What are the key properties of 2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane?
2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane has a molecular weight of 310.80 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(2,2-difluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane is sourced from PubChem (CID 178112097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).