methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate

C12H22F2O5Si — CID 54130462

IUPACmethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(F)(F)[C@H](O[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H22F2O5Si/c1-11(2)17-7-8(18-11)9(19-20(4,5)6)12(13,14)10(15)16-3/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKeyNTZBACCKAIIIPC-RKDXNWHRSA-N
MW312.39 g/mol
LogP2.17
Rot. Bonds5

About methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate

methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate (PubChem CID 54130462) has the molecular formula C12H22F2O5Si and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate
PubChem CID54130462
Molecular FormulaC12H22F2O5Si
Molecular Weight312.39 g/mol
Exact Mass312.12
IUPAC Namemethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(F)(F)[C@H](O[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H22F2O5Si/c1-11(2)17-7-8(18-11)9(19-20(4,5)6)12(13,14)10(15)16-3/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKeyNTZBACCKAIIIPC-RKDXNWHRSA-N
XLogP2.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate?
The IUPAC name of methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate (CID 54130462) is methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate.
What is the SMILES notation for methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate?
The canonical SMILES for methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate is COC(=O)C(F)(F)[C@H](O[Si](C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate?
The InChIKey is NTZBACCKAIIIPC-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H22F2O5Si/c1-11(2)17-7-8(18-11)9(19-20(4,5)6)12(13,14)10(15)16-3/h8-9H,7H2,1-6H3/t8-,9-/m1/s1.
What are the key properties of methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate?
methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate has a molecular weight of 312.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 54130462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).