3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol

C19H20BrF5OSi — CID 150964998

IUPAC3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol
SMILESC[Si](C)(CCC(O)(c1ccc(Br)cc1)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H20BrF5OSi/c1-27(2,16-6-4-3-5-7-16)13-12-17(26,18(21,22)19(23,24)25)14-8-10-15(20)11-9-14/h3-11,26H,12-13H2,1-2H3
InChIKeyLMWSUGZUFYHVAZ-UHFFFAOYSA-N
MW467.35 g/mol
LogP5.84
Rot. Bonds6

About 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol

3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol (PubChem CID 150964998) has the molecular formula C19H20BrF5OSi and a molecular weight of 467.35 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol
PubChem CID150964998
Molecular FormulaC19H20BrF5OSi
Molecular Weight467.35 g/mol
Exact Mass466.04
IUPAC Name3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol
SMILESC[Si](C)(CCC(O)(c1ccc(Br)cc1)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H20BrF5OSi/c1-27(2,16-6-4-3-5-7-16)13-12-17(26,18(21,22)19(23,24)25)14-8-10-15(20)11-9-14/h3-11,26H,12-13H2,1-2H3
InChIKeyLMWSUGZUFYHVAZ-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.35
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol?
The IUPAC name of 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol (CID 150964998) is 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol.
What is the SMILES notation for 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol?
The canonical SMILES for 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol is C[Si](C)(CCC(O)(c1ccc(Br)cc1)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol?
The InChIKey is LMWSUGZUFYHVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF5OSi/c1-27(2,16-6-4-3-5-7-16)13-12-17(26,18(21,22)19(23,24)25)14-8-10-15(20)11-9-14/h3-11,26H,12-13H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol?
3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol has a molecular weight of 467.35 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-[dimethyl(phenyl)silyl]-1,1,1,2,2-pentafluoropentan-3-ol is sourced from PubChem (CID 150964998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).