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

C10H21F3O2Si — CID 11521739

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCO)C(F)(F)F
InChIInChI=1S/C10H21F3O2Si/c1-9(2,3)16(4,5)15-8(6-7-14)10(11,12)13/h8,14H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyFAEPYVQMJKYKIJ-MRVPVSSYSA-N
MW258.36 g/mol
LogP3.32
Rot. Bonds4

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

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol (PubChem CID 11521739) has the molecular formula C10H21F3O2Si and a molecular weight of 258.36 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
PubChem CID11521739
Molecular FormulaC10H21F3O2Si
Molecular Weight258.36 g/mol
Exact Mass258.13
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCO)C(F)(F)F
InChIInChI=1S/C10H21F3O2Si/c1-9(2,3)16(4,5)15-8(6-7-14)10(11,12)13/h8,14H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyFAEPYVQMJKYKIJ-MRVPVSSYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.32
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)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol (CID 11521739) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol is CC(C)(C)[Si](C)(C)O[C@H](CCO)C(F)(F)F.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol?
The InChIKey is FAEPYVQMJKYKIJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21F3O2Si/c1-9(2,3)16(4,5)15-8(6-7-14)10(11,12)13/h8,14H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 11521739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).