3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol

C12H27FO2Si — CID 10753215

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol
SMILESCC(F)(CO)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27FO2Si/c1-10(2,3)16(7,8)15-11(4,5)12(6,13)9-14/h14H,9H2,1-8H3
InChIKeyKVHSYUFIODNHNK-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.51
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol (PubChem CID 10753215) has the molecular formula C12H27FO2Si and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol
PubChem CID10753215
Molecular FormulaC12H27FO2Si
Molecular Weight250.43 g/mol
Exact Mass250.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol
SMILESCC(F)(CO)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27FO2Si/c1-10(2,3)16(7,8)15-11(4,5)12(6,13)9-14/h14H,9H2,1-8H3
InChIKeyKVHSYUFIODNHNK-UHFFFAOYSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol (CID 10753215) is 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol is CC(F)(CO)C(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol?
The InChIKey is KVHSYUFIODNHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27FO2Si/c1-10(2,3)16(7,8)15-11(4,5)12(6,13)9-14/h14H,9H2,1-8H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol has a molecular weight of 250.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 10753215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).