propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate

C10H20F2O2Si — CID 14437989

IUPACpropan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate
SMILESCC(C)OC(=O)C(F)(F)CC[Si](C)(C)C
InChIInChI=1S/C10H20F2O2Si/c1-8(2)14-9(13)10(11,12)6-7-15(3,4)5/h8H,6-7H2,1-5H3
InChIKeyMGYLDAKNCQCAHP-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.30
Rot. Bonds5

About propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate

propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate (PubChem CID 14437989) has the molecular formula C10H20F2O2Si and a molecular weight of 238.35 g/mol. Its IUPAC name is propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate
PubChem CID14437989
Molecular FormulaC10H20F2O2Si
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Namepropan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate
SMILESCC(C)OC(=O)C(F)(F)CC[Si](C)(C)C
InChIInChI=1S/C10H20F2O2Si/c1-8(2)14-9(13)10(11,12)6-7-15(3,4)5/h8H,6-7H2,1-5H3
InChIKeyMGYLDAKNCQCAHP-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
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 propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate?
The IUPAC name of propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate (CID 14437989) is propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate.
What is the SMILES notation for propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate?
The canonical SMILES for propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate is CC(C)OC(=O)C(F)(F)CC[Si](C)(C)C.
What is the InChIKey of propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate?
The InChIKey is MGYLDAKNCQCAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O2Si/c1-8(2)14-9(13)10(11,12)6-7-15(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate?
propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate has a molecular weight of 238.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,2-difluoro-4-trimethylsilylbutanoate is sourced from PubChem (CID 14437989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).