1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol

C10H23F3OSi2 — CID 13168541

IUPAC1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol
SMILESC[Si](C)(C)CC(O)(C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C10H23F3OSi2/c1-15(2,3)7-9(14,10(11,12)13)8-16(4,5)6/h14H,7-8H2,1-6H3
InChIKeyVBFITFDIQAKEBI-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.96
Rot. Bonds4

About 1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol

1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol (PubChem CID 13168541) has the molecular formula C10H23F3OSi2 and a molecular weight of 272.46 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol
PubChem CID13168541
Molecular FormulaC10H23F3OSi2
Molecular Weight272.46 g/mol
Exact Mass272.12
IUPAC Name1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol
SMILESC[Si](C)(C)CC(O)(C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C10H23F3OSi2/c1-15(2,3)7-9(14,10(11,12)13)8-16(4,5)6/h14H,7-8H2,1-6H3
InChIKeyVBFITFDIQAKEBI-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol (CID 13168541) is 1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol is C[Si](C)(C)CC(O)(C[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol?
The InChIKey is VBFITFDIQAKEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23F3OSi2/c1-15(2,3)7-9(14,10(11,12)13)8-16(4,5)6/h14H,7-8H2,1-6H3.
What are the key properties of 1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol?
1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol has a molecular weight of 272.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol is sourced from PubChem (CID 13168541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).