3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane

C17H26F2O3Si — CID 174718664

IUPAC3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)C(c2cc(F)cc(F)c2)CCC[Si]1(OC)OC
InChIInChI=1S/C17H26F2O3Si/c1-5-8-17(20-2)16(7-6-9-23(17,21-3)22-4)13-10-14(18)12-15(19)11-13/h10-12,16H,5-9H2,1-4H3
InChIKeyGEEVRYRKIGJQGN-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.30
Rot. Bonds6

About 3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane

3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174718664) has the molecular formula C17H26F2O3Si and a molecular weight of 344.47 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane
PubChem CID174718664
Molecular FormulaC17H26F2O3Si
Molecular Weight344.47 g/mol
Exact Mass344.16
IUPAC Name3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)C(c2cc(F)cc(F)c2)CCC[Si]1(OC)OC
InChIInChI=1S/C17H26F2O3Si/c1-5-8-17(20-2)16(7-6-9-23(17,21-3)22-4)13-10-14(18)12-15(19)11-13/h10-12,16H,5-9H2,1-4H3
InChIKeyGEEVRYRKIGJQGN-UHFFFAOYSA-N
XLogP4.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of 3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane (CID 174718664) is 3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for 3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane is CCCC1(OC)C(c2cc(F)cc(F)c2)CCC[Si]1(OC)OC.
What is the InChIKey of 3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is GEEVRYRKIGJQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2O3Si/c1-5-8-17(20-2)16(7-6-9-23(17,21-3)22-4)13-10-14(18)12-15(19)11-13/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane?
3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 344.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174718664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).