chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

C11H10ClF7O2Si — CID 23523522

IUPACchloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](Cl)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C11H10ClF7O2Si/c1-3-20-22(12,21-4-2)10-8(15)6(13)5(11(17,18)19)7(14)9(10)16/h3-4H2,1-2H3
InChIKeyBWSBNOIRIKEBHA-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.72
Rot. Bonds5

About chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (PubChem CID 23523522) has the molecular formula C11H10ClF7O2Si and a molecular weight of 370.72 g/mol. Its IUPAC name is chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namechloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
PubChem CID23523522
Molecular FormulaC11H10ClF7O2Si
Molecular Weight370.72 g/mol
Exact Mass370.00
IUPAC Namechloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](Cl)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C11H10ClF7O2Si/c1-3-20-22(12,21-4-2)10-8(15)6(13)5(11(17,18)19)7(14)9(10)16/h3-4H2,1-2H3
InChIKeyBWSBNOIRIKEBHA-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The IUPAC name of chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (CID 23523522) is chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is CCO[Si](Cl)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The InChIKey is BWSBNOIRIKEBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF7O2Si/c1-3-20-22(12,21-4-2)10-8(15)6(13)5(11(17,18)19)7(14)9(10)16/h3-4H2,1-2H3.
What are the key properties of chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane has a molecular weight of 370.72 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 23523522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).