trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane

C13H19F3O3Si — CID 90170967

IUPACtrihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
SMILESO[Si](O)(O)CCCCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3O3Si/c14-13(15,16)12-8-6-11(7-9-12)5-3-1-2-4-10-20(17,18)19/h6-9,17-19H,1-5,10H2
InChIKeyJIIKJYGITGNPQS-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.72
Rot. Bonds7

About trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane

trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane (PubChem CID 90170967) has the molecular formula C13H19F3O3Si and a molecular weight of 308.37 g/mol. Its IUPAC name is trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane.

Molecular Properties

Compound Nametrihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
PubChem CID90170967
Molecular FormulaC13H19F3O3Si
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Nametrihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
SMILESO[Si](O)(O)CCCCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3O3Si/c14-13(15,16)12-8-6-11(7-9-12)5-3-1-2-4-10-20(17,18)19/h6-9,17-19H,1-5,10H2
InChIKeyJIIKJYGITGNPQS-UHFFFAOYSA-N
XLogP2.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(trifluoromethyl)phenyl]hexanamide
CID 66848410
diethoxy-methyl-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90172096
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90175181
2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 46209743
5-[4-[4-(trifluoromethyl)phenyl]phenyl]pentanal
CID 143082498
3-[[4-[7-[4-[4-(trifluoromethyl)phenyl]phenyl]heptyl]benzoyl]amino]propanoic acid
CID 67484764
4-[4-(trifluoromethyl)phenyl]butanoyl chloride
CID 165349049
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774
N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 71049243

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane?
The IUPAC name of trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane (CID 90170967) is trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane.
What is the SMILES notation for trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane?
The canonical SMILES for trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane is O[Si](O)(O)CCCCCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane?
The InChIKey is JIIKJYGITGNPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O3Si/c14-13(15,16)12-8-6-11(7-9-12)5-3-1-2-4-10-20(17,18)19/h6-9,17-19H,1-5,10H2.
What are the key properties of trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane?
trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane has a molecular weight of 308.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane is sourced from PubChem (CID 90170967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).