3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol

C11H15F3O3Si — CID 162546346

IUPAC3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol
SMILESOC(O)O[SiH2]CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3O3Si/c12-11(13,14)9-5-1-3-8(7-9)4-2-6-18-17-10(15)16/h1,3,5,7,10,15-16H,2,4,6,18H2
InChIKeyGWUSWGAJWUPTRN-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.42
Rot. Bonds6

About 3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol

3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol (PubChem CID 162546346) has the molecular formula C11H15F3O3Si and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol
PubChem CID162546346
Molecular FormulaC11H15F3O3Si
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol
SMILESOC(O)O[SiH2]CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3O3Si/c12-11(13,14)9-5-1-3-8(7-9)4-2-6-18-17-10(15)16/h1,3,5,7,10,15-16H,2,4,6,18H2
InChIKeyGWUSWGAJWUPTRN-UHFFFAOYSA-N
XLogP1.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-(trifluoromethyl)phenyl]methylsilyloxymethanediol
CID 162541895
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
[3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol
CID 154058713
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
CID 90174130
CID 90174130
2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
CID 70887141
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
1-(4-bromo-4-phenylbutyl)-3-(trifluoromethyl)benzene
CID 64506557

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol (CID 162546346) is 3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol is OC(O)O[SiH2]CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol?
The InChIKey is GWUSWGAJWUPTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O3Si/c12-11(13,14)9-5-1-3-8(7-9)4-2-6-18-17-10(15)16/h1,3,5,7,10,15-16H,2,4,6,18H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol?
3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol has a molecular weight of 280.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol is sourced from PubChem (CID 162546346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).