(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol

C11H24F2O2Si — CID 174248180

IUPAC(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol
SMILESCC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(F)F
InChIInChI=1S/C11H24F2O2Si/c1-8(9(14)10(12)13)7-15-16(5,6)11(2,3)4/h8-10,14H,7H2,1-6H3/t8?,9-/m1/s1
InChIKeyYVFPKWKJVCSCMQ-YGPZHTELSA-N
MW254.39 g/mol
LogP3.27
Rot. Bonds5

About (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol (PubChem CID 174248180) has the molecular formula C11H24F2O2Si and a molecular weight of 254.39 g/mol. Its IUPAC name is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol
PubChem CID174248180
Molecular FormulaC11H24F2O2Si
Molecular Weight254.39 g/mol
Exact Mass254.15
IUPAC Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol
SMILESCC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(F)F
InChIInChI=1S/C11H24F2O2Si/c1-8(9(14)10(12)13)7-15-16(5,6)11(2,3)4/h8-10,14H,7H2,1-6H3/t8?,9-/m1/s1
InChIKeyYVFPKWKJVCSCMQ-YGPZHTELSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.27
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 (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol?
The IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol (CID 174248180) is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol.
What is the SMILES notation for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol?
The canonical SMILES for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol is CC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(F)F.
What is the InChIKey of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol?
The InChIKey is YVFPKWKJVCSCMQ-YGPZHTELSA-N. The full InChI is InChI=1S/C11H24F2O2Si/c1-8(9(14)10(12)13)7-15-16(5,6)11(2,3)4/h8-10,14H,7H2,1-6H3/t8?,9-/m1/s1.
What are the key properties of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol?
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol has a molecular weight of 254.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-3-methylbutan-2-ol is sourced from PubChem (CID 174248180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).