hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane

C13H7F15OSi — CID 153323664

IUPAChydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane
SMILESC[Si](C)(O)c1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C13H7F15OSi/c1-30(2,29)8-6(12(23,24)25)4(10(17,18)19)3(9(14,15)16)5(11(20,21)22)7(8)13(26,27)28/h29H,1-2H3
InChIKeyKQUCRJBCLFDDOZ-UHFFFAOYSA-N
MW492.25 g/mol
LogP6.18
Rot. Bonds1

About hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane

hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane (PubChem CID 153323664) has the molecular formula C13H7F15OSi and a molecular weight of 492.25 g/mol. Its IUPAC name is hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane
PubChem CID153323664
Molecular FormulaC13H7F15OSi
Molecular Weight492.25 g/mol
Exact Mass492.00
IUPAC Namehydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane
SMILESC[Si](C)(O)c1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C13H7F15OSi/c1-30(2,29)8-6(12(23,24)25)4(10(17,18)19)3(9(14,15)16)5(11(20,21)22)7(8)13(26,27)28/h29H,1-2H3
InChIKeyKQUCRJBCLFDDOZ-UHFFFAOYSA-N
XLogP6.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.25
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine
CID 167619078
4,7-dimethyl-5,6-bis(trifluoromethyl)-2,1,3-benzoxadiazole
CID 89399704
1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene
CID 146814181
2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline
CID 71327551
1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene
CID 178120433
3,4,5,6-tetrakis(trifluoromethyl)pyridazine
CID 12633182
N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine
CID 59115925
5-tert-butyl-1,3-dimethyl-2-(trifluoromethyl)benzene
CID 116964832
1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole
CID 146379292
[4-borono-6-methyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-7-yl]boronic acid
CID 71242228
dihydroxy-methyl-(2,2,2-trifluoroethyl)silane
CID 165051687
ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
CID 145102025

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane?
The IUPAC name of hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane (CID 153323664) is hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane.
What is the SMILES notation for hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane?
The canonical SMILES for hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane is C[Si](C)(O)c1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane?
The InChIKey is KQUCRJBCLFDDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F15OSi/c1-30(2,29)8-6(12(23,24)25)4(10(17,18)19)3(9(14,15)16)5(11(20,21)22)7(8)13(26,27)28/h29H,1-2H3.
What are the key properties of hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane?
hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane has a molecular weight of 492.25 g/mol, XLogP of 6.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 153323664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).