(3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

C14H10ClF5OSi — CID 91743588

IUPAC(3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(Oc1cccc(Cl)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H10ClF5OSi/c1-22(2,21-8-5-3-4-7(15)6-8)14-12(19)10(17)9(16)11(18)13(14)20/h3-6H,1-2H3
InChIKeyHYBJPGXRDTXPCU-UHFFFAOYSA-N
MW352.76 g/mol
LogP4.53
Rot. Bonds3

About (3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

(3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91743588) has the molecular formula C14H10ClF5OSi and a molecular weight of 352.76 g/mol. Its IUPAC name is (3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name(3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91743588
Molecular FormulaC14H10ClF5OSi
Molecular Weight352.76 g/mol
Exact Mass352.01
IUPAC Name(3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(Oc1cccc(Cl)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H10ClF5OSi/c1-22(2,21-8-5-3-4-7(15)6-8)14-12(19)10(17)9(16)11(18)13(14)20/h3-6H,1-2H3
InChIKeyHYBJPGXRDTXPCU-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.76
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of (3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 91743588) is (3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for (3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for (3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is C[Si](C)(Oc1cccc(Cl)c1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is HYBJPGXRDTXPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF5OSi/c1-22(2,21-8-5-3-4-7(15)6-8)14-12(19)10(17)9(16)11(18)13(14)20/h3-6H,1-2H3.
What are the key properties of (3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
(3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 352.76 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91743588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).