[4-(trifluoromethyl)phenyl]methylsilyloxymethanediol

C9H11F3O3Si — CID 154164238

IUPAC[4-(trifluoromethyl)phenyl]methylsilyloxymethanediol
SMILESOC(O)O[SiH2]Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H11F3O3Si/c10-9(11,12)7-3-1-6(2-4-7)5-16-15-8(13)14/h1-4,8,13-14H,5,16H2
InChIKeyOCBYVBCYDOKILV-UHFFFAOYSA-N
MW252.26 g/mol
LogP0.57
Rot. Bonds4

About [4-(trifluoromethyl)phenyl]methylsilyloxymethanediol

[4-(trifluoromethyl)phenyl]methylsilyloxymethanediol (PubChem CID 154164238) has the molecular formula C9H11F3O3Si and a molecular weight of 252.26 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methylsilyloxymethanediol.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methylsilyloxymethanediol
PubChem CID154164238
Molecular FormulaC9H11F3O3Si
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name[4-(trifluoromethyl)phenyl]methylsilyloxymethanediol
SMILESOC(O)O[SiH2]Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H11F3O3Si/c10-9(11,12)7-3-1-6(2-4-7)5-16-15-8(13)14/h1-4,8,13-14H,5,16H2
InChIKeyOCBYVBCYDOKILV-UHFFFAOYSA-N
XLogP0.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol
CID 154058713
[3-(trifluoromethyl)phenyl]methylsilyloxymethanediol
CID 162541895
3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol
CID 162546346
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
4-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 103147476
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 116752705
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
1-(trifluoromethyl)-4-[2-[1-[4-(trifluoromethyl)phenyl]but-3-yn-2-yloxy]but-3-ynyl]benzene
CID 118536884
1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methylsilyloxymethanediol?
The IUPAC name of [4-(trifluoromethyl)phenyl]methylsilyloxymethanediol (CID 154164238) is [4-(trifluoromethyl)phenyl]methylsilyloxymethanediol.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methylsilyloxymethanediol?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methylsilyloxymethanediol is OC(O)O[SiH2]Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methylsilyloxymethanediol?
The InChIKey is OCBYVBCYDOKILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3Si/c10-9(11,12)7-3-1-6(2-4-7)5-16-15-8(13)14/h1-4,8,13-14H,5,16H2.
What are the key properties of [4-(trifluoromethyl)phenyl]methylsilyloxymethanediol?
[4-(trifluoromethyl)phenyl]methylsilyloxymethanediol has a molecular weight of 252.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methylsilyloxymethanediol is sourced from PubChem (CID 154164238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).