(3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol

C12H22F6O2Si — CID 10640888

IUPAC(3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H22F6O2Si/c1-8(7-20-21(5,6)9(2,3)4)10(19,11(13,14)15)12(16,17)18/h8,19H,7H2,1-6H3/t8-/m1/s1
InChIKeyJZKSEFCOGGETPK-MRVPVSSYSA-N
MW340.38 g/mol
LogP4.50
Rot. Bonds4

About (3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol

(3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol (PubChem CID 10640888) has the molecular formula C12H22F6O2Si and a molecular weight of 340.38 g/mol. Its IUPAC name is (3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name(3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol
PubChem CID10640888
Molecular FormulaC12H22F6O2Si
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H22F6O2Si/c1-8(7-20-21(5,6)9(2,3)4)10(19,11(13,14)15)12(16,17)18/h8,19H,7H2,1-6H3/t8-/m1/s1
InChIKeyJZKSEFCOGGETPK-MRVPVSSYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.50
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 (3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol (CID 10640888) is (3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for (3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for (3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol is C[C@H](CO[Si](C)(C)C(C)(C)C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol?
The InChIKey is JZKSEFCOGGETPK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H22F6O2Si/c1-8(7-20-21(5,6)9(2,3)4)10(19,11(13,14)15)12(16,17)18/h8,19H,7H2,1-6H3/t8-/m1/s1.
What are the key properties of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol?
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol has a molecular weight of 340.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 10640888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).