chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane

C12H10ClF7O2Si — CID 23523521

IUPACchloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
SMILESCCO[Si](Cl)(OCC)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F
InChIInChI=1S/C12H10ClF7O2Si/c1-3-21-23(13,22-4-2)11-9(17)6(14)5(7(15)10(11)18)8(16)12(19)20/h3-4H2,1-2H3
InChIKeyNNFLWSIKZMEIOI-UHFFFAOYSA-N
MW382.74 g/mol
LogP4.24
Rot. Bonds6

About chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane

chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane (PubChem CID 23523521) has the molecular formula C12H10ClF7O2Si and a molecular weight of 382.74 g/mol. Its IUPAC name is chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane.

Molecular Properties

Compound Namechloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
PubChem CID23523521
Molecular FormulaC12H10ClF7O2Si
Molecular Weight382.74 g/mol
Exact Mass382.00
IUPAC Namechloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
SMILESCCO[Si](Cl)(OCC)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F
InChIInChI=1S/C12H10ClF7O2Si/c1-3-21-23(13,22-4-2)11-9(17)6(14)5(7(15)10(11)18)8(16)12(19)20/h3-4H2,1-2H3
InChIKeyNNFLWSIKZMEIOI-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.74
LogP ≤ 54.24
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-(1,2,2-trifluoroethenyl)phenyl]silane?
The IUPAC name of chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane (CID 23523521) is chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane.
What is the SMILES notation for chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
The canonical SMILES for chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane is CCO[Si](Cl)(OCC)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F.
What is the InChIKey of chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
The InChIKey is NNFLWSIKZMEIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF7O2Si/c1-3-21-23(13,22-4-2)11-9(17)6(14)5(7(15)10(11)18)8(16)12(19)20/h3-4H2,1-2H3.
What are the key properties of chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane has a molecular weight of 382.74 g/mol, XLogP of 4.24, 6 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-(1,2,2-trifluoroethenyl)phenyl]silane is sourced from PubChem (CID 23523521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).