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

C14H9F7OSi — CID 530910

IUPAC(3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(Oc1cc(F)cc(F)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9F7OSi/c1-23(2,22-8-4-6(15)3-7(16)5-8)14-12(20)10(18)9(17)11(19)13(14)21/h3-5H,1-2H3
InChIKeyDOODVQHHOYRSPB-UHFFFAOYSA-N
MW354.30 g/mol
LogP4.15
Rot. Bonds3

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

(3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 530910) has the molecular formula C14H9F7OSi and a molecular weight of 354.30 g/mol. Its IUPAC name is (3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name(3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID530910
Molecular FormulaC14H9F7OSi
Molecular Weight354.30 g/mol
Exact Mass354.03
IUPAC Name(3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(Oc1cc(F)cc(F)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9F7OSi/c1-23(2,22-8-4-6(15)3-7(16)5-8)14-12(20)10(18)9(17)11(19)13(14)21/h3-5H,1-2H3
InChIKeyDOODVQHHOYRSPB-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 54.15
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 (3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of (3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 530910) is (3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for (3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for (3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is C[Si](C)(Oc1cc(F)cc(F)c1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is DOODVQHHOYRSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F7OSi/c1-23(2,22-8-4-6(15)3-7(16)5-8)14-12(20)10(18)9(17)11(19)13(14)21/h3-5H,1-2H3.
What are the key properties of (3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
(3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 354.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 530910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).