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

C11H20F2O2Si — CID 175542910

IUPAC(1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1[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-IENPIDJESA-N
MW250.36 g/mol
LogP3.09
Rot. Bonds4

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

(1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde (PubChem CID 175542910) has the molecular formula C11H20F2O2Si and a molecular weight of 250.36 g/mol. Its IUPAC name is (1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name(1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
PubChem CID175542910
Molecular FormulaC11H20F2O2Si
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name(1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1[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-IENPIDJESA-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 (1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
The IUPAC name of (1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde (CID 175542910) is (1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde.
What is the SMILES notation for (1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
The canonical SMILES for (1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OCC1[C@H](C=O)C1(F)F.
What is the InChIKey of (1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
The InChIKey is CFSNMFQEPJQWCB-IENPIDJESA-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 (1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde?
(1R)-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 (1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde is sourced from PubChem (CID 175542910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).