[3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol

C10H10F6O3Si — CID 154058713

IUPAC[3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol
SMILESOC(O)O[SiH2]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F6O3Si/c11-9(12,13)6-1-5(4-20-19-8(17)18)2-7(3-6)10(14,15)16/h1-3,8,17-18H,4,20H2
InChIKeyWTUKFENYULPEQP-UHFFFAOYSA-N
MW320.26 g/mol
LogP1.59
Rot. Bonds4

About [3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol

[3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol (PubChem CID 154058713) has the molecular formula C10H10F6O3Si and a molecular weight of 320.26 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol
PubChem CID154058713
Molecular FormulaC10H10F6O3Si
Molecular Weight320.26 g/mol
Exact Mass320.03
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol
SMILESOC(O)O[SiH2]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F6O3Si/c11-9(12,13)6-1-5(4-20-19-8(17)18)2-7(3-6)10(14,15)16/h1-3,8,17-18H,4,20H2
InChIKeyWTUKFENYULPEQP-UHFFFAOYSA-N
XLogP1.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 51.59
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-(trifluoromethyl)phenyl]methylsilyloxymethanediol
CID 162541895
[4-(trifluoromethyl)phenyl]methylsilyloxymethanediol
CID 154164238
3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol
CID 162546346
(1R,2R)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol
CID 101179006
1-(2-azidoethyl)-3,5-bis(trifluoromethyl)benzene
CID 71419492
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine
CID 173495553
2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 87789027
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;hydrobromide
CID 162568084
1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 172768218
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxopropanoate
CID 18370574
1-(butan-2-yloxymethyl)-3,5-bis(trifluoromethyl)benzene
CID 138549851

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol (CID 154058713) is [3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol is OC(O)O[SiH2]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol?
The InChIKey is WTUKFENYULPEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O3Si/c11-9(12,13)6-1-5(4-20-19-8(17)18)2-7(3-6)10(14,15)16/h1-3,8,17-18H,4,20H2.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol?
[3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol has a molecular weight of 320.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]methylsilyloxymethanediol is sourced from PubChem (CID 154058713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).