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

C11H20F2O2Si — CID 166561246

IUPACtrans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](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/t8-,9-/m0/s1
InChIKeyCFSNMFQEPJQWCB-IUCAKERBSA-N
MW250.36 g/mol
LogP3.09
Rot. Bonds4

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

trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde (PubChem CID 166561246) has the molecular formula C11H20F2O2Si and a molecular weight of 250.36 g/mol. Its IUPAC name is trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
PubChem CID166561246
Molecular FormulaC11H20F2O2Si
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Nametrans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](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/t8-,9-/m0/s1
InChIKeyCFSNMFQEPJQWCB-IUCAKERBSA-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 trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde (CID 166561246) is trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](C=O)C1(F)F.
What is the InChIKey of trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
The InChIKey is CFSNMFQEPJQWCB-IUCAKERBSA-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/t8-,9-/m0/s1.
What are the key properties of trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
trans-(1R,3R)-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 trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde is sourced from PubChem (CID 166561246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).