[3-(trifluoromethyl)phenyl]methylsilyloxymethanediol

C9H11F3O3Si — CID 162541895

IUPAC[3-(trifluoromethyl)phenyl]methylsilyloxymethanediol
SMILESOC(O)O[SiH2]Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3O3Si/c10-9(11,12)7-3-1-2-6(4-7)5-16-15-8(13)14/h1-4,8,13-14H,5,16H2
InChIKeyIOJGCFPAHRKVQE-UHFFFAOYSA-N
MW252.26 g/mol
LogP0.57
Rot. Bonds4

About [3-(trifluoromethyl)phenyl]methylsilyloxymethanediol

[3-(trifluoromethyl)phenyl]methylsilyloxymethanediol (PubChem CID 162541895) has the molecular formula C9H11F3O3Si and a molecular weight of 252.26 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methylsilyloxymethanediol.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methylsilyloxymethanediol
PubChem CID162541895
Molecular FormulaC9H11F3O3Si
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name[3-(trifluoromethyl)phenyl]methylsilyloxymethanediol
SMILESOC(O)O[SiH2]Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3O3Si/c10-9(11,12)7-3-1-2-6(4-7)5-16-15-8(13)14/h1-4,8,13-14H,5,16H2
InChIKeyIOJGCFPAHRKVQE-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-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol
CID 162546346
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
4-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 103147587
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride
CID 66983008
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol
CID 54568761

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methylsilyloxymethanediol?
The IUPAC name of [3-(trifluoromethyl)phenyl]methylsilyloxymethanediol (CID 162541895) is [3-(trifluoromethyl)phenyl]methylsilyloxymethanediol.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methylsilyloxymethanediol?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methylsilyloxymethanediol is OC(O)O[SiH2]Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methylsilyloxymethanediol?
The InChIKey is IOJGCFPAHRKVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3Si/c10-9(11,12)7-3-1-2-6(4-7)5-16-15-8(13)14/h1-4,8,13-14H,5,16H2.
What are the key properties of [3-(trifluoromethyl)phenyl]methylsilyloxymethanediol?
[3-(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 [3-(trifluoromethyl)phenyl]methylsilyloxymethanediol is sourced from PubChem (CID 162541895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).