[(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

C25H33FO4Si — CID 140772722

IUPAC[(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CF)[C@H]2O1
InChIInChI=1S/C25H33FO4Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)27-17-21-20(16-26)22-23(28-21)30-25(4,5)29-22/h6-15,20-23H,16-17H2,1-5H3/t20-,21-,22-,23-/m1/s1
InChIKeyZMNKBYGZJKJBCW-SSGKUCQKSA-N
MW444.62 g/mol
LogP4.03
Rot. Bonds6

About [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

[(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 140772722) has the molecular formula C25H33FO4Si and a molecular weight of 444.62 g/mol. Its IUPAC name is [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID140772722
Molecular FormulaC25H33FO4Si
Molecular Weight444.62 g/mol
Exact Mass444.21
IUPAC Name[(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CF)[C@H]2O1
InChIInChI=1S/C25H33FO4Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)27-17-21-20(16-26)22-23(28-21)30-25(4,5)29-22/h6-15,20-23H,16-17H2,1-5H3/t20-,21-,22-,23-/m1/s1
InChIKeyZMNKBYGZJKJBCW-SSGKUCQKSA-N
XLogP4.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 140772722) is [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is CC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CF)[C@H]2O1.
What is the InChIKey of [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is ZMNKBYGZJKJBCW-SSGKUCQKSA-N. The full InChI is InChI=1S/C25H33FO4Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)27-17-21-20(16-26)22-23(28-21)30-25(4,5)29-22/h6-15,20-23H,16-17H2,1-5H3/t20-,21-,22-,23-/m1/s1.
What are the key properties of [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
[(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 444.62 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 140772722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).