diphenyl-bis(2,3,4-trifluorophenoxy)silane

C24H14F6O2Si — CID 91738635

IUPACdiphenyl-bis(2,3,4-trifluorophenoxy)silane
SMILESFc1ccc(O[Si](Oc2ccc(F)c(F)c2F)(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C24H14F6O2Si/c25-17-11-13-19(23(29)21(17)27)31-33(15-7-3-1-4-8-15,16-9-5-2-6-10-16)32-20-14-12-18(26)22(28)24(20)30/h1-14H
InChIKeyKCLMAWMBENRQJL-UHFFFAOYSA-N
MW476.45 g/mol
LogP5.24
Rot. Bonds6

About diphenyl-bis(2,3,4-trifluorophenoxy)silane

diphenyl-bis(2,3,4-trifluorophenoxy)silane (PubChem CID 91738635) has the molecular formula C24H14F6O2Si and a molecular weight of 476.45 g/mol. Its IUPAC name is diphenyl-bis(2,3,4-trifluorophenoxy)silane.

Molecular Properties

Compound Namediphenyl-bis(2,3,4-trifluorophenoxy)silane
PubChem CID91738635
Molecular FormulaC24H14F6O2Si
Molecular Weight476.45 g/mol
Exact Mass476.07
IUPAC Namediphenyl-bis(2,3,4-trifluorophenoxy)silane
SMILESFc1ccc(O[Si](Oc2ccc(F)c(F)c2F)(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C24H14F6O2Si/c25-17-11-13-19(23(29)21(17)27)31-33(15-7-3-1-4-8-15,16-9-5-2-6-10-16)32-20-14-12-18(26)22(28)24(20)30/h1-14H
InChIKeyKCLMAWMBENRQJL-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Tetraphenoxysilane
CID 70896
4-(Triphenylsilyl)phenol
CID 3359842
2-(Triphenylsilyl)phenol
CID 4650651
Bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite
CID 21115590
Methyltriphenoxysilane
CID 629516
Triphenoxyvinylsilane
CID 87746
Diphenoxydiphenylsilane
CID 102045
Fluorophenylborate
CID 67050242
Trifluorophenylborate
CID 87653432
Phenyl-tri(phenoxy)silane
CID 6426512
1,3-Difluoro-5-pentafluorophenyldimethylsilyloxybenzene
CID 530910
Silane, diphenylisobutoxy(2,3,4-trifluorophenoxy)-
CID 91732732

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(2,3,4-trifluorophenoxy)silane?
The IUPAC name of diphenyl-bis(2,3,4-trifluorophenoxy)silane (CID 91738635) is diphenyl-bis(2,3,4-trifluorophenoxy)silane.
What is the SMILES notation for diphenyl-bis(2,3,4-trifluorophenoxy)silane?
The canonical SMILES for diphenyl-bis(2,3,4-trifluorophenoxy)silane is Fc1ccc(O[Si](Oc2ccc(F)c(F)c2F)(c2ccccc2)c2ccccc2)c(F)c1F.
What is the InChIKey of diphenyl-bis(2,3,4-trifluorophenoxy)silane?
The InChIKey is KCLMAWMBENRQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6O2Si/c25-17-11-13-19(23(29)21(17)27)31-33(15-7-3-1-4-8-15,16-9-5-2-6-10-16)32-20-14-12-18(26)22(28)24(20)30/h1-14H.
What are the key properties of diphenyl-bis(2,3,4-trifluorophenoxy)silane?
diphenyl-bis(2,3,4-trifluorophenoxy)silane has a molecular weight of 476.45 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(2,3,4-trifluorophenoxy)silane is sourced from PubChem (CID 91738635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).