3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde

C11H20F2O2Si — CID 172695254

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1C(C=O)C1(F)F
InChIInChI=1S/C11H20F2O2Si/c1-10(2,3)16(4,5)15-7-9-8(6-14)11(9,12)13/h6,8-9H,7H2,1-5H3
InChIKeyCFSNMFQEPJQWCB-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.09
Rot. Bonds4

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde (PubChem CID 172695254) has the molecular formula C11H20F2O2Si and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
PubChem CID172695254
Molecular FormulaC11H20F2O2Si
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1C(C=O)C1(F)F
InChIInChI=1S/C11H20F2O2Si/c1-10(2,3)16(4,5)15-7-9-8(6-14)11(9,12)13/h6,8-9H,7H2,1-5H3
InChIKeyCFSNMFQEPJQWCB-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde (CID 172695254) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OCC1C(C=O)C1(F)F.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
The InChIKey is CFSNMFQEPJQWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2Si/c1-10(2,3)16(4,5)15-7-9-8(6-14)11(9,12)13/h6,8-9H,7H2,1-5H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde has a molecular weight of 250.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde is sourced from PubChem (CID 172695254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).