(4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane

C22H24F8OSi — CID 139774066

IUPAC(4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane
SMILESCCCCc1c(F)c(F)c(O[Si](C)(C)c2c(F)c(F)c(CCCC)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H24F8OSi/c1-5-7-9-11-13(23)17(27)21(18(28)14(11)24)31-32(3,4)22-19(29)15(25)12(10-8-6-2)16(26)20(22)30/h5-10H2,1-4H3
InChIKeyBBUCVGXWDKFQQW-UHFFFAOYSA-N
MW484.50 g/mol
LogP6.98
Rot. Bonds9

About (4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane

(4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane (PubChem CID 139774066) has the molecular formula C22H24F8OSi and a molecular weight of 484.50 g/mol. Its IUPAC name is (4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane.

Molecular Properties

Compound Name(4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane
PubChem CID139774066
Molecular FormulaC22H24F8OSi
Molecular Weight484.50 g/mol
Exact Mass484.15
IUPAC Name(4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane
SMILESCCCCc1c(F)c(F)c(O[Si](C)(C)c2c(F)c(F)c(CCCC)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H24F8OSi/c1-5-7-9-11-13(23)17(27)21(18(28)14(11)24)31-32(3,4)22-19(29)15(25)12(10-8-6-2)16(26)20(22)30/h5-10H2,1-4H3
InChIKeyBBUCVGXWDKFQQW-UHFFFAOYSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane?
The IUPAC name of (4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane (CID 139774066) is (4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane.
What is the SMILES notation for (4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane?
The canonical SMILES for (4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane is CCCCc1c(F)c(F)c(O[Si](C)(C)c2c(F)c(F)c(CCCC)c(F)c2F)c(F)c1F.
What is the InChIKey of (4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane?
The InChIKey is BBUCVGXWDKFQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F8OSi/c1-5-7-9-11-13(23)17(27)21(18(28)14(11)24)31-32(3,4)22-19(29)15(25)12(10-8-6-2)16(26)20(22)30/h5-10H2,1-4H3.
What are the key properties of (4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane?
(4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane has a molecular weight of 484.50 g/mol, XLogP of 6.98, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-2,3,5,6-tetrafluorophenoxy)-(4-butyl-2,3,5,6-tetrafluorophenyl)-dimethylsilane is sourced from PubChem (CID 139774066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).