hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane

C18H22F4O2Si2 — CID 102006217

IUPAChydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane
SMILESC[Si](C)(O)c1cccc(C(F)(F)C(F)(F)c2cccc([Si](C)(C)O)c2)c1
InChIInChI=1S/C18H22F4O2Si2/c1-25(2,23)15-9-5-7-13(11-15)17(19,20)18(21,22)14-8-6-10-16(12-14)26(3,4)24/h5-12,23-24H,1-4H3
InChIKeyKMOPCTMZZDLONP-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.38
Rot. Bonds5

About hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane

hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane (PubChem CID 102006217) has the molecular formula C18H22F4O2Si2 and a molecular weight of 402.54 g/mol. Its IUPAC name is hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane
PubChem CID102006217
Molecular FormulaC18H22F4O2Si2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC Namehydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane
SMILESC[Si](C)(O)c1cccc(C(F)(F)C(F)(F)c2cccc([Si](C)(C)O)c2)c1
InChIInChI=1S/C18H22F4O2Si2/c1-25(2,23)15-9-5-7-13(11-15)17(19,20)18(21,22)14-8-6-10-16(12-14)26(3,4)24/h5-12,23-24H,1-4H3
InChIKeyKMOPCTMZZDLONP-UHFFFAOYSA-N
XLogP3.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane?
The IUPAC name of hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane (CID 102006217) is hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane.
What is the SMILES notation for hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane?
The canonical SMILES for hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane is C[Si](C)(O)c1cccc(C(F)(F)C(F)(F)c2cccc([Si](C)(C)O)c2)c1.
What is the InChIKey of hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane?
The InChIKey is KMOPCTMZZDLONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4O2Si2/c1-25(2,23)15-9-5-7-13(11-15)17(19,20)18(21,22)14-8-6-10-16(12-14)26(3,4)24/h5-12,23-24H,1-4H3.
What are the key properties of hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane?
hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane has a molecular weight of 402.54 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[3-[1,1,2,2-tetrafluoro-2-[3-[hydroxy(dimethyl)silyl]phenyl]ethyl]phenyl]silane is sourced from PubChem (CID 102006217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).